G786-1188 Screening compound: (2E)-N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-(thiophen-2-yl)prop-2-enamide

G786-1188 Screening compound: (2E)-N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-(thiophen-2-yl)prop-2-enamide
G786-1188 Screening compound: (2E)-N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-(thiophen-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1188
(2E)-N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-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

G786-1188

Molecular Formula

C17H11N3OS3 (C17 H11 N3 OS3)

Compound Name

(2E)-N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-3-(thiophen-2-yl)prop-2-enamide

IUPAC name

(2E)-N-[4-(13-benzothiazol-2-yl)-13-thiazol-2-yl]-3-(thiophen-2-yl)prop-2-enamide

SMILES

O=C(/C=C/c1cccs1)Nc1nc(-c2nc(cccc3)c3s2)cs1

InChI

InChI=1S/C17H11N3OS3/c21-15(8-7-11-4-3-9-22-11)20-17-19-13(10-23-17)16-18-12-5-1-2-6-14(12)24-16/h1-10H,(H,19,20,21)

InChI Key

DFRHIYJYMYMBPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04418135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.123

Distribution Coefficient, logD

5.122

Water Solubility, LogSw

-5.33

Polar Surface Area

43.630

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

G786-1188 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with G786-1188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1188?
Check Price and Availability of G786-1188, 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 G786-1188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1188
  • 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 G786-1188 available by request