1246-0562 Screening compound: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenyl)prop-2-enenitrile

1246-0562 Screening compound: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenyl)prop-2-enenitrile
1246-0562 Screening compound: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenyl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0562
(2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenyl)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

1246-0562

Molecular Formula

C21H10BrClN2O2S (C21 H10 BrClN2 O2 S)

Compound Name

(2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenyl)prop-2-enenitrile

IUPAC name

(2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-13-thiazol-2-yl]-3-(2-chlorophenyl)prop-2-enenitrile

SMILES

N#C/C(/c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)=C\c(cccc1)c1Cl

InChI

InChI=1S/C21H10BrClN2O2S/c22-15-5-6-19-13(8-15)9-16(21(26)27-19)18-11-28-20(25-18)14(10-24)7-12-3-1-2-4-17(12)23/h1-9,11H

InChI Key

YEVAANTXDYPDEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01245001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.030

Distribution Coefficient, logD

6.030

Water Solubility, LogSw

-6.25

Polar Surface Area

47.679

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1246-0562 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 1246-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0562?
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What is the minimum amount of 1246-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0562
  • 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 1246-0562 available by request