6392-0880 Screening compound: (2E)-2-cyano-N-cyclohexyl-3-[2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

6392-0880 Screening compound: (2E)-2-cyano-N-cyclohexyl-3-[2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
6392-0880 Screening compound: (2E)-2-cyano-N-cyclohexyl-3-[2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0880
(2E)-2-cyano-N-cyclohexyl-3-[2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-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

6392-0880

Molecular Formula

C25H23FN4O3 (C25 H23 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C1=NC(Oc(cc2)ccc2F)=C2/C=C(/C(NC3CCCCC3)=O)\C#N)=CC=CN1C2=O

InChI

InChI=1S/C25H23FN4O3/c1-16-6-5-13-30-22(16)29-24(33-20-11-9-18(26)10-12-20)21(25(30)32)14-17(15-27)23(31)28-19-7-3-2-4-8-19/h5-6,9-14,19H,2-4,7-8H2,1H3,(H,28,31)

InChI Key

UCBZUHCTWKVYHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04168496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.48

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

4.074

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.20

Polar Surface Area

72.958

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

6392-0880 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 6392-0880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0880?
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What is the minimum amount of 6392-0880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0880
  • 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 6392-0880 available by request