C200-8728 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-3-propyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

C200-8728 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-3-propyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
C200-8728 Screening compound: 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-3-propyl-3H,4H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8728
2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-3-propyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

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

C200-8728

Molecular Formula

C23H20ClFN2OS2 (C23 H20 ClFN2 OS2)

Compound Name

2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-3-propyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-3-propyl-3H4H-thieno[32-d]pyrimidin-4-one

SMILES

CCCN(C1=O)C(SCc(ccc(F)c2)c2Cl)=Nc2c1sc(-c1ccc(C)cc1)c2

InChI

InChI=1S/C23H20ClFN2OS2/c1-3-10-27-22(28)21-19(12-20(30-21)15-6-4-14(2)5-7-15)26-23(27)29-13-16-8-9-17(25)11-18(16)24/h4-9,11-12H,3,10,13H2,1-2H3

InChI Key

UPWKGMOPFGGCIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.395

Distribution Coefficient, logD

7.395

Water Solubility, LogSw

-6.48

Polar Surface Area

26.768

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C200-8728 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 C200-8728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8728?
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What is the minimum amount of C200-8728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8728
  • 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 C200-8728 available by request