1246-0771 Screening compound: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(5-bromofuran-2-yl)prop-2-enenitrile

1246-0771 Screening compound: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(5-bromofuran-2-yl)prop-2-enenitrile
1246-0771 Screening compound: (2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(5-bromofuran-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1246-0771
(2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(5-bromofuran-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

1246-0771

Molecular Formula

C19H8Br2N2O3S (C19 H8 Br2 N2 O3 S)

Compound Name

(2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(5-bromofuran-2-yl)prop-2-enenitrile

IUPAC name

(2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-13-thiazol-2-yl]-3-(5-bromofuran-2-yl)prop-2-enenitrile

SMILES

N#C/C(/c1nc(C2=Cc(cc(cc3)Br)c3OC2=O)cs1)=C\c(o1)ccc1Br

InChI

InChI=1S/C19H8Br2N2O3S/c20-12-1-3-16-10(5-12)7-14(19(24)26-16)15-9-27-18(23-15)11(8-22)6-13-2-4-17(21)25-13/h1-7,9H

InChI Key

QLULFTIUOZZAOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.647

Distribution Coefficient, logD

5.647

Water Solubility, LogSw

-5.95

Polar Surface Area

55.775

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1246-0771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1246-0771?
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What is the minimum amount of 1246-0771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1246-0771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1246-0771
  • 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 1246-0771 available by request