D490-0958 Screening compound: 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide

D490-0958 Screening compound: 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
D490-0958 Screening compound: 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0958
2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]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

D490-0958

Molecular Formula

C22H19ClN4O2S (C22 H19 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1NC(CSC(NC1=O)=NC(c(cc2)ccc2Cl)=C1C#N)=O

InChI

InChI=1S/C22H19ClN4O2S/c1-13(2)14-5-9-17(10-6-14)25-19(28)12-30-22-26-20(18(11-24)21(29)27-22)15-3-7-16(23)8-4-15/h3-10,13H,12H2,1-2H3,(H,25,28)(H,26,27,29)

InChI Key

BQIMMUPCBDQKDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.758

Distribution Coefficient, logD

1.205

Water Solubility, LogSw

-5.10

Polar Surface Area

74.588

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D490-0958 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D490-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0958?
Check Price and Availability of D490-0958, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D490-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0958
  • 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 D490-0958 available by request