G856-6949 Screening compound: (2E)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-3-(thiophen-2-yl)prop-2-enamide

G856-6949 Screening compound: (2E)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-3-(thiophen-2-yl)prop-2-enamide
G856-6949 Screening compound: (2E)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-3-(thiophen-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-6949
(2E)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-3-(thiophen-2-yl)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

G856-6949

Molecular Formula

C20H14BrN3OS2 (C20 H14 BrN3 OS2)

Compound Name

(2E)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-3-(thiophen-2-yl)prop-2-enamide

IUPAC name

(2E)-N-(6-bromo-13-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-3-(thiophen-2-yl)prop-2-enamide

SMILES

O=C(/C=C/c1cccs1)N(Cc1cnccc1)c1nc(ccc(Br)c2)c2s1

InChI

InChI=1S/C20H14BrN3OS2/c21-15-5-7-17-18(11-15)27-20(23-17)24(13-14-3-1-9-22-12-14)19(25)8-6-16-4-2-10-26-16/h1-12H,13H2

InChI Key

JZONEQBWOYACHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06715321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.970

Distribution Coefficient, logD

4.970

Water Solubility, LogSw

-4.71

Polar Surface Area

35.134

Acid Dissociation Constant (pKa)

19.31

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

G856-6949 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 G856-6949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-6949?
Check Price and Availability of G856-6949, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G856-6949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-6949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-6949
  • 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 G856-6949 available by request