1246-0491 Screening compound: (2E)-3-(2-chloroquinolin-3-yl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

1246-0491 Screening compound: (2E)-3-(2-chloroquinolin-3-yl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
1246-0491 Screening compound: (2E)-3-(2-chloroquinolin-3-yl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0491
(2E)-3-(2-chloroquinolin-3-yl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-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

1246-0491

Molecular Formula

C21H11ClN4O2S (C21 H11 ClN4 O2 S)

Compound Name

(2E)-3-(2-chloroquinolin-3-yl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

IUPAC name

(2E)-3-(2-chloroquinolin-3-yl)-2-[4-(4-nitrophenyl)-13-thiazol-2-yl]prop-2-enenitrile

SMILES

N#C/C(/c1nc(-c(cc2)ccc2[N+]([O-])=O)cs1)=C\c1cc2ccccc2nc1Cl

InChI

InChI=1S/C21H11ClN4O2S/c22-20-15(9-14-3-1-2-4-18(14)24-20)10-16(11-23)21-25-19(12-29-21)13-5-7-17(8-6-13)26(27)28/h1-10,12H

InChI Key

NCVMUADTTACZCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00335741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.102

Distribution Coefficient, logD

6.102

Water Solubility, LogSw

-6.75

Polar Surface Area

69.107

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1246-0491 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1246-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0491?
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What is the minimum amount of 1246-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0491
  • 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 1246-0491 available by request