PDD 00031705 | CAS#2032096-45-8 | Negative control for PDD 00017238

MedKoo Cat#: 462159 | Name: PDD 00031705

Description:

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

PDD 00031705 is a Negative control for PDD 00017238.

Chemical Structure

PDD 00031705

CAS#2032096-45-8

Theoretical Analysis

MedKoo Cat#: 462159

Name: PDD 00031705

CAS#: 2032096-45-8

Chemical Formula: C20H22N6O3S3

Exact Mass: 490.0916

Molecular Weight: 490.62

Elemental Analysis: C, 48.96; H, 4.52; N, 17.13; O, 9.78; S, 19.60

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

PDD 00031705; PDD-00031705; PDD00031705

IUPAC/Chemical Name

1-((2,4-dimethylthiazol-5-yl)methyl)-N-methyl-N-(1-methylcyclopropyl)-2-oxo-3-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-benzo[d]imidazole-5-sulfonamide

InChi Key

KWGUETFSHQZXMA-UHFFFAOYSA-N

InChi Code

InChI=1S/C20H22N6O3S3/c1-12-17(30-13(2)23-12)10-25-15-6-5-14(32(28,29)24(4)20(3)7-8-20)9-16(15)26(19(25)27)18-21-11-22-31-18/h5-6,9,11H,7-8,10H2,1-4H3

SMILES Code

O=C1N(C2=NC=NS2)C3=CC(S(=O)(N(C)C4(CC4)C)=O)=CC=C3N1CC5=C(C)N=C(C)S5

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

Shelf Life

>3 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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 490.62 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.

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: James DI, Smith KM, Jordan AM, et al. First-in-Class Chemical Probes against Poly(ADP-ribose) Glycohydrolase (PARG) Inhibit DNA Repair with Differential Pharmacology to Olaparib. ACS Chem Biol. 2016;11(11):3179‐3190. doi:10.1021/acschembio.6b00609.