6392-1002 Screening compound: (2E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[(oxolan-2-yl)methyl]prop-2-enamide

6392-1002 Screening compound: (2E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[(oxolan-2-yl)methyl]prop-2-enamide
6392-1002 Screening compound: (2E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[(oxolan-2-yl)methyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-1002
(2E)-2-cyano-3-[2-(2,3-dimethylphenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-[(oxolan-2-yl)methyl]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

6392-1002

Molecular Formula

C26H26N4O4 (C26 H26 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-[(oxolan-2-yl)methyl]prop-2-enamide

IUPAC name

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

SMILES

Cc1cccc(OC(N=C2N3C=CC=C2C)=C(/C=C(/C(NCC2OCCC2)=O)\C#N)C3=O)c1C

InChI

InChI=1S/C26H26N4O4/c1-16-7-4-10-22(18(16)3)34-25-21(26(32)30-11-5-8-17(2)23(30)29-25)13-19(14-27)24(31)28-15-20-9-6-12-33-20/h4-5,7-8,10-11,13,20H,6,9,12,15H2,1-3H3,(H,28,31)/t20-/m1/s1

InChI Key

IPJYGMMYTVJXSD-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD04191425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.774

Distribution Coefficient, logD

2.771

Water Solubility, LogSw

-3.11

Polar Surface Area

81.973

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

6392-1002 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 6392-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-1002?
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What is the minimum amount of 6392-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-1002
  • 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 6392-1002 available by request