6392-0061 Screening compound: (2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide

6392-0061 Screening compound: (2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
6392-0061 Screening compound: (2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0061
(2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methoxyphenyl)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

6392-0061

Molecular Formula

C29H26N4O4 (C29 H26 N4 O4)

Compound Name

(2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide

IUPAC name

(2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide

SMILES

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

InChI

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

InChI Key

ZLEFVECFVKWGFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04194048

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

5.369

Distribution Coefficient, logD

5.139

Water Solubility, LogSw

-5.51

Polar Surface Area

80.433

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

6392-0061 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 6392-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0061?
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What is the minimum amount of 6392-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0061
  • 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 6392-0061 available by request