D490-0752 Screening compound: 2-{[3-(4-chlorophenoxy)propyl]sulfanyl}-4-(4-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

D490-0752 Screening compound: 2-{[3-(4-chlorophenoxy)propyl]sulfanyl}-4-(4-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
D490-0752 Screening compound: 2-{[3-(4-chlorophenoxy)propyl]sulfanyl}-4-(4-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0752
2-{[3-(4-chlorophenoxy)propyl]sulfanyl}-4-(4-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-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

D490-0752

Molecular Formula

C20H15Cl2N3O2S (C20 H15 Cl2 N3 O2 S)

Compound Name

2-{[3-(4-chlorophenoxy)propyl]sulfanyl}-4-(4-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

IUPAC name

2-{[3-(4-chlorophenoxy)propyl]sulfanyl}-4-(4-chlorophenyl)-6-oxo-16-dihydropyrimidine-5-carbonitrile

SMILES

N#CC(C(N1)=O)=C(c(cc2)ccc2Cl)N=C1SCCCOc(cc1)ccc1Cl

InChI

InChI=1S/C20H15Cl2N3O2S/c21-14-4-2-13(3-5-14)18-17(12-23)19(26)25-20(24-18)28-11-1-10-27-16-8-6-15(22)7-9-16/h2-9H,1,10-11H2,(H,24,25,26)

InChI Key

ZPKMUURMLNCIAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.287

Distribution Coefficient, logD

1.718

Water Solubility, LogSw

-6.05

Polar Surface Area

58.856

Acid Dissociation Constant (pKa)

3.83

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with D490-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0752?
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What is the minimum amount of D490-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0752
  • 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 D490-0752 available by request