6392-0060 Screening compound: (2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclopentylprop-2-enamide

6392-0060 Screening compound: (2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclopentylprop-2-enamide
6392-0060 Screening compound: (2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclopentylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0060
(2E)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-cyclopentylprop-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

6392-0060

Molecular Formula

C27H28N4O3 (C27 H28 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1OC(N=C1N2C=CC=C1)=C(/C=C(/C(NC1CCCC1)=O)\C#N)C2=O

InChI

InChI=1S/C27H28N4O3/c1-27(2,3)19-11-13-21(14-12-19)34-25-22(26(33)31-15-7-6-10-23(31)30-25)16-18(17-28)24(32)29-20-8-4-5-9-20/h6-7,10-16,20H,4-5,8-9H2,1-3H3,(H,29,32)

InChI Key

HRGRPKXVTMAHBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04191060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.114

Distribution Coefficient, logD

5.114

Water Solubility, LogSw

-5.01

Polar Surface Area

74.303

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6392-0060 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 6392-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0060?
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What is the minimum amount of 6392-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0060
  • 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 6392-0060 available by request