D490-0283 Screening compound: 4-[(3-chloro-4-fluorophenyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

D490-0283 Screening compound: 4-[(3-chloro-4-fluorophenyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
D490-0283 Screening compound: 4-[(3-chloro-4-fluorophenyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0283
4-[(3-chloro-4-fluorophenyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-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

D490-0283

Molecular Formula

C18H11Cl2FN4S (C18 H11 Cl2 FN4 S)

Compound Name

4-[(3-chloro-4-fluorophenyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

IUPAC name

4-[(3-chloro-4-fluorophenyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

SMILES

CSc(nc1Nc(cc2)cc(Cl)c2F)nc(-c(cc2)ccc2Cl)c1C#N

InChI

InChI=1S/C18H11Cl2FN4S/c1-26-18-24-16(10-2-4-11(19)5-3-10)13(9-22)17(25-18)23-12-6-7-15(21)14(20)8-12/h2-8H,1H3,(H,23,24,25)

InChI Key

XUWYXTGQVGCYTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.28

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

6.058

Distribution Coefficient, logD

6.058

Water Solubility, LogSw

-6.58

Polar Surface Area

44.639

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D490-0283 in Drug Discovery

Included in Screening Libraries

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 D490-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0283?
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What is the minimum amount of D490-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0283
  • 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 D490-0283 available by request