D490-0926 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

D490-0926 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
D490-0926 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0926
N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

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

D490-0926

Molecular Formula

C20H14Cl2N4O2S (C20 H14 Cl2 N4 O2 S)

Compound Name

N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}acetamide

SMILES

Cc(c(NC(CSC(NC1=O)=NC(c(cc2)ccc2Cl)=C1C#N)=O)ccc1)c1Cl

InChI

InChI=1S/C20H14Cl2N4O2S/c1-11-15(22)3-2-4-16(11)24-17(27)10-29-20-25-18(14(9-23)19(28)26-20)12-5-7-13(21)8-6-12/h2-8H,10H2,1H3,(H,24,27)(H,25,26,28)

InChI Key

YSUWODDHSSPHAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.227

Distribution Coefficient, logD

0.674

Water Solubility, LogSw

-4.47

Polar Surface Area

73.890

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D490-0926 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D490-0926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0926?
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What is the minimum amount of D490-0926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0926
  • 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 D490-0926 available by request