6392-1023 Screening compound: (2E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[3-(propan-2-yloxy)propyl]prop-2-enamide

6392-1023 Screening compound: (2E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[3-(propan-2-yloxy)propyl]prop-2-enamide
6392-1023 Screening compound: (2E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[3-(propan-2-yloxy)propyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-1023
(2E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[3-(propan-2-yloxy)propyl]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

6392-1023

Molecular Formula

C27H30N4O4 (C27 H30 N4 O4)

Compound Name

(2E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[3-(propan-2-yloxy)propyl]prop-2-enamide

IUPAC name

(2E)-2-cyano-3-[2-(23-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]-N-[3-(propan-2-yloxy)propyl]prop-2-enamide

SMILES

CC(C)OCCCNC(/C(/C#N)=C/C(C(N(C=CC=C1C)C1=N1)=O)=C1Oc1c(C)c(C)ccc1)=O

InChI

InChI=1S/C27H30N4O4/c1-17(2)34-14-8-12-29-25(32)21(16-28)15-22-26(35-23-11-6-9-18(3)20(23)5)30-24-19(4)10-7-13-31(24)27(22)33/h6-7,9-11,13,15,17H,8,12,14H2,1-5H3,(H,29,32)

InChI Key

BHSJXTRUQHMPQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04190075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.389

Distribution Coefficient, logD

3.389

Water Solubility, LogSw

-3.73

Polar Surface Area

80.633

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6392-1023 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 6392-1023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-1023?
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What is the minimum amount of 6392-1023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-1023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-1023
  • 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 6392-1023 available by request