D490-0952 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide

D490-0952 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
D490-0952 Screening compound: N-(4-chloro-2-methoxy-5-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 D490-0952
N-(4-chloro-2-methoxy-5-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

D490-0952

Molecular Formula

C21H16Cl2N4O3S (C21 H16 Cl2 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(c(OC)c1)NC(CSC(NC2=O)=NC(c(cc3)ccc3Cl)=C2C#N)=O)c1Cl

InChI

InChI=1S/C21H16Cl2N4O3S/c1-11-7-16(17(30-2)8-15(11)23)25-18(28)10-31-21-26-19(14(9-24)20(29)27-21)12-3-5-13(22)6-4-12/h3-8H,10H2,1-2H3,(H,25,28)(H,26,27,29)

InChI Key

MSHIZVLEYOHYIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.371

Distribution Coefficient, logD

0.818

Water Solubility, LogSw

-4.60

Polar Surface Area

81.520

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with D490-0952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0952?
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What is the minimum amount of D490-0952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0952
  • 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 D490-0952 available by request