C200-6730 Screening compound: 2-{[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

C200-6730 Screening compound: 2-{[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
C200-6730 Screening compound: 2-{[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6730
2-{[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

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

C200-6730

Molecular Formula

C24H24N4O3S3 (C24 H24 N4 O3 S3)

Compound Name

2-{[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-{[3-(4-ethoxyphenyl)-6-methyl-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

SMILES

CCOc(cc1)ccc1N(C(N=C(N(C)C1=O)SCC(NCc2ccc(C)cc2)=O)=C1S1)C1=S

InChI

InChI=1S/C24H24N4O3S3/c1-4-31-18-11-9-17(10-12-18)28-21-20(34-24(28)32)22(30)27(3)23(26-21)33-14-19(29)25-13-16-7-5-15(2)6-8-16/h5-12H,4,13-14H2,1-3H3,(H,25,29)

InChI Key

VWWZSWNFHHPRBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.004

Distribution Coefficient, logD

4.004

Water Solubility, LogSw

-3.96

Polar Surface Area

59.198

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C200-6730 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-6730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6730?
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What is the minimum amount of C200-6730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6730
  • 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 C200-6730 available by request