6392-0861 Screening compound: (2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzenesulfonyl)prop-2-enenitrile

6392-0861 Screening compound: (2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzenesulfonyl)prop-2-enenitrile
6392-0861 Screening compound: (2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzenesulfonyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0861
(2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzenesulfonyl)prop-2-enenitrile

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

6392-0861

Molecular Formula

C25H18ClN3O4S (C25 H18 ClN3 O4 S)

Compound Name

(2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylbenzenesulfonyl)prop-2-enenitrile

IUPAC name

(2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]-2-(4-methylbenzenesulfonyl)prop-2-enenitrile

SMILES

Cc(cc1)ccc1S(/C(/C#N)=C/C(C(N(C=CC=C1C)C1=N1)=O)=C1Oc(cccc1)c1Cl)(=O)=O

InChI

InChI=1S/C25H18ClN3O4S/c1-16-9-11-18(12-10-16)34(31,32)19(15-27)14-20-24(33-22-8-4-3-7-21(22)26)28-23-17(2)6-5-13-29(23)25(20)30/h3-14H,1-2H3

InChI Key

GORANMZSEAXXOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04197800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

4.419

Water Solubility, LogSw

-4.59

Polar Surface Area

78.407

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

6392-0861 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6392-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0861?
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What is the minimum amount of 6392-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0861
  • 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 6392-0861 available by request