C200-9626 Screening compound: ethyl 2-(2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate

C200-9626 Screening compound: ethyl 2-(2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
C200-9626 Screening compound: ethyl 2-(2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9626
ethyl 2-(2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C200-9626

Molecular Formula

C25H24N4O4S2 (C25 H24 N4 O4 S2)

Compound Name

ethyl 2-(2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 2-(2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6H7H-[12]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate

SMILES

CCN(C1=O)C(SCC(Nc(cccc2)c2C(OCC)=O)=O)=Nc2c1snc2-c1ccc(C)cc1

InChI

InChI=1S/C25H24N4O4S2/c1-4-29-23(31)22-21(20(28-35-22)16-12-10-15(3)11-13-16)27-25(29)34-14-19(30)26-18-9-7-6-8-17(18)24(32)33-5-2/h6-13H,4-5,14H2,1-3H3,(H,26,30)

InChI Key

RFAAQEPEHIMQLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

4.815

Water Solubility, LogSw

-4.54

Polar Surface Area

77.711

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C200-9626 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-9626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9626?
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What is the minimum amount of C200-9626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9626
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C200-9626 available by request