6392-0052 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

6392-0052 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
6392-0052 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6392-0052
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

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

6392-0052

Molecular Formula

C28H23N5O2 (C28 H23 N5 O2)

Compound Name

(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile

IUPAC name

(2E)-2-(1H-13-benzodiazol-2-yl)-3-[2-(4-tert-butylphenoxy)-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl]prop-2-enenitrile

SMILES

CC(C)(C)c(cc1)ccc1OC(N=C1N2C=CC=C1)=C(/C=C(/c1nc(cccc3)c3[nH]1)\C#N)C2=O

InChI

InChI=1S/C28H23N5O2/c1-28(2,3)19-11-13-20(14-12-19)35-26-21(27(34)33-15-7-6-10-24(33)32-26)16-18(17-29)25-30-22-8-4-5-9-23(22)31-25/h4-16H,1-3H3,(H,30,31)

InChI Key

UQUGFARTVWSTCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04197573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.491

Distribution Coefficient, logD

5.491

Water Solubility, LogSw

-5.58

Polar Surface Area

68.818

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6392-0052 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6392-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6392-0052?
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What is the minimum amount of 6392-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6392-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6392-0052
  • 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 6392-0052 available by request