6392-0402 Screening compound: (2E)-2-cyano-N-(4-methoxyphenyl)-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enamide

6392-0402 Screening compound: (2E)-2-cyano-N-(4-methoxyphenyl)-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enamide
6392-0402 Screening compound: (2E)-2-cyano-N-(4-methoxyphenyl)-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0402
(2E)-2-cyano-N-(4-methoxyphenyl)-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-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

6392-0402

Molecular Formula

C29H26N4O4 (C29 H26 N4 O4)

Compound Name

(2E)-2-cyano-N-(4-methoxyphenyl)-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}prop-2-enamide

IUPAC name

(2E)-2-cyano-N-(4-methoxyphenyl)-3-{2-[5-methyl-2-(propan-2-yl)phenoxy]-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl}prop-2-enamide

SMILES

CC(C)c(ccc(C)c1)c1OC(N=C1N2C=CC=C1)=C(/C=C(/C(Nc(cc1)ccc1OC)=O)\C#N)C2=O

InChI

InChI=1S/C29H26N4O4/c1-18(2)23-13-8-19(3)15-25(23)37-28-24(29(35)33-14-6-5-7-26(33)32-28)16-20(17-30)27(34)31-21-9-11-22(36-4)12-10-21/h5-16,18H,1-4H3,(H,31,34)

InChI Key

GBCCSLNLIKPBEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04447541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.210

Distribution Coefficient, logD

4.979

Water Solubility, LogSw

-5.02

Polar Surface Area

80.520

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

6392-0402 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 6392-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0402?
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What is the minimum amount of 6392-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0402
  • 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 6392-0402 available by request