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MedKoo Cat#: 524703 | Name: Chir 4531

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Chir 4531 is a N-(substituted)glycine peptoid trimer.

Chemical Structure

Chir 4531
Chir 4531
CAS#158198-48-2

Theoretical Analysis

MedKoo Cat#: 524703

Name: Chir 4531

CAS#: 158198-48-2

Chemical Formula: C36H38N4O6

Exact Mass: 622.2791

Molecular Weight: 622.71

Elemental Analysis: C, 69.44; H, 6.15; N, 9.00; O, 15.42

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Chir 4531; Chir4531; Chir-4531.
IUPAC/Chemical Name
Glycinamide, N-(2,2-diphenylethyl)glycyl-N-(1,3-benzodioxol-5-ylmethyl)glycyl-N2-(2-(4-hydroxyphenyl)ethyl)-
InChi Key
GANLUHRILMMVRH-DHUJRADRSA-N
InChi Code
InChI=1S/C36H38N4O6/c37-20-31(42)35(36(44)40(34(43)21-38)23-30(27-7-3-1-4-8-27)28-9-5-2-6-10-28)39(18-17-25-11-14-29(41)15-12-25)22-26-13-16-32-33(19-26)46-24-45-32/h1-16,19,30,35,41H,17-18,20-24,37-38H2/t35-/m0/s1
SMILES Code
C([C@@H]([N@@](CCc1ccc(cc1)O)Cc1cc2OCOc2cc1)C(CN)=O)(=O)N(CC(c1ccccc1)c1ccccc1)C(CN)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO, not in water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 622.71 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Bradley EK, Kerr JM, Richter LS, Figliozzi GM, Goff DA, Zuckermann RN, Spellmeyer DC, Blaney JM. NMR structural characterization of oligo-N-substituted glycine lead compounds from a combinatorial library. Mol Divers. 1997;3(1):1-15. PubMed PMID: 9527473. 2: Zuckermann RN, Martin EJ, Spellmeyer DC, Stauber GB, Shoemaker KR, Kerr JM, Figliozzi GM, Goff DA, Siani MA, Simon RJ, et al. Discovery of nanomolar ligands for 7-transmembrane G-protein-coupled receptors from a diverse N-(substituted)glycine peptoid library. J Med Chem. 1994 Aug 19;37(17):2678-85. PubMed PMID: 8064796.

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