C200-7992 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-3-(prop-2-en-1-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

C200-7992 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-3-(prop-2-en-1-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
C200-7992 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-3-(prop-2-en-1-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-7992
2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-3-(prop-2-en-1-yl)-3H,4H,5H-pyrrolo[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

C200-7992

Molecular Formula

C23H20FN3OS (C23 H20 FN3 OS)

Compound Name

2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-3-(prop-2-en-1-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

IUPAC name

2-{[(4-fluorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-3-(prop-2-en-1-yl)-3H4H5H-pyrrolo[32-d]pyrimidin-4-one

SMILES

Cn(cc1-c2ccccc2)c(C(N2CC=C)=O)c1N=C2SCc(cc1)ccc1F

InChI

InChI=1S/C23H20FN3OS/c1-3-13-27-22(28)21-20(19(14-26(21)2)17-7-5-4-6-8-17)25-23(27)29-15-16-9-11-18(24)12-10-16/h3-12,14H,1,13,15H2,2H3

InChI Key

UKMLBWYEJGMKCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.425

Distribution Coefficient, logD

4.425

Water Solubility, LogSw

-4.33

Polar Surface Area

26.195

Acid Dissociation Constant (pKa)

30.44

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C200-7992 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C200-7992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7992?
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What is the minimum amount of C200-7992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7992
  • 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 C200-7992 available by request