D624-0004 Screening compound: 4-[(3-chlorophenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

D624-0004 Screening compound: 4-[(3-chlorophenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
D624-0004 Screening compound: 4-[(3-chlorophenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D624-0004
4-[(3-chlorophenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

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

D624-0004

Molecular Formula

C18H13ClN4S (C18 H13 ClN4 S)

Compound Name

4-[(3-chlorophenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

IUPAC name

4-[(3-chlorophenyl)amino]-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

SMILES

CSc(nc1Nc2cccc(Cl)c2)nc(-c2ccccc2)c1C#N

InChI

InChI=1S/C18H13ClN4S/c1-24-18-22-16(12-6-3-2-4-7-12)15(11-20)17(23-18)21-14-9-5-8-13(19)10-14/h2-10H,1H3,(H,21,22,23)

InChI Key

NPBUINUAOXNBCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15142648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.381

Distribution Coefficient, logD

5.381

Water Solubility, LogSw

-6.16

Polar Surface Area

44.639

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D624-0004 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D624-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D624-0004?
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What is the minimum amount of D624-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D624-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D624-0004
  • 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 D624-0004 available by request