6392-0866 Screening compound: (2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclopentylprop-2-enamide

6392-0866 Screening compound: (2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclopentylprop-2-enamide
6392-0866 Screening compound: (2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclopentylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0866
(2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclopentylprop-2-enamide

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

6392-0866

Molecular Formula

C24H21ClN4O3 (C24 H21 ClN4 O3)

Compound Name

(2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclopentylprop-2-enamide

IUPAC name

(2E)-3-[2-(2-chlorophenoxy)-9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]-2-cyano-N-cyclopentylprop-2-enamide

SMILES

CC(C1=NC(Oc(cccc2)c2Cl)=C2/C=C(/C(NC3CCCC3)=O)\C#N)=CC=CN1C2=O

InChI

InChI=1S/C24H21ClN4O3/c1-15-7-6-12-29-21(15)28-23(32-20-11-5-4-10-19(20)25)18(24(29)31)13-16(14-26)22(30)27-17-8-2-3-9-17/h4-7,10-13,17H,2-3,8-9H2,1H3,(H,27,30)

InChI Key

OGMCBVJICSDKHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04171454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.971

Distribution Coefficient, logD

3.971

Water Solubility, LogSw

-4.34

Polar Surface Area

73.410

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6392-0866 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 6392-0866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0866?
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What is the minimum amount of 6392-0866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0866
  • 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 6392-0866 available by request