0978-8249 Screening compound: (2E)-N-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enamide

0978-8249 Screening compound: (2E)-N-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enamide
0978-8249 Screening compound: (2E)-N-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0978-8249
(2E)-N-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-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

0978-8249

Molecular Formula

C16H11BrN2OS (C16 H11 BrN2 OS)

Compound Name

(2E)-N-(1,3-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enamide

IUPAC name

(2E)-N-(13-benzothiazol-2-yl)-3-(4-bromophenyl)prop-2-enamide

SMILES

O=C(/C=C/c(cc1)ccc1Br)Nc1nc(cccc2)c2s1

InChI

InChI=1S/C16H11BrN2OS/c17-12-8-5-11(6-9-12)7-10-15(20)19-16-18-13-3-1-2-4-14(13)21-16/h1-10H,(H,18,19,20)

InChI Key

DOZWVMFZNPZPCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.480

Distribution Coefficient, logD

5.480

Water Solubility, LogSw

-5.79

Polar Surface Area

32.878

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0978-8249 in Drug Discovery

Included in Screening Libraries

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 0978-8249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0978-8249?
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What is the minimum amount of 0978-8249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0978-8249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0978-8249
  • 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 0978-8249 available by request