C200-7989 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-3-(prop-2-en-1-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

C200-7989 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-7-phenyl-3-(prop-2-en-1-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
C200-7989 Screening compound: 2-{[(3-chlorophenyl)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 C200-7989
2-{[(3-chlorophenyl)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

C200-7989

Molecular Formula

C23H20ClN3OS (C23 H20 ClN3 OS)

Compound Name

2-{[(3-chlorophenyl)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-{[(3-chlorophenyl)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=C2SCc1cccc(Cl)c1

InChI

InChI=1S/C23H20ClN3OS/c1-3-12-27-22(28)21-20(19(14-26(21)2)17-9-5-4-6-10-17)25-23(27)29-15-16-8-7-11-18(24)13-16/h3-11,13-14H,1,12,15H2,2H3

InChI Key

VIIFILDDGRGBET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.95

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

5.329

Distribution Coefficient, logD

5.329

Water Solubility, LogSw

-5.72

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

References: we are preparing a list of scientific research reports with C200-7989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-7989?
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What is the minimum amount of C200-7989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-7989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-7989
  • 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 C200-7989 available by request