G952-3157 Screening compound: (2E)-3-phenyl-N-{3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}prop-2-enamide

G952-3157 Screening compound: (2E)-3-phenyl-N-{3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}prop-2-enamide
G952-3157 Screening compound: (2E)-3-phenyl-N-{3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-3157
(2E)-3-phenyl-N-{3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-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

G952-3157

Molecular Formula

C18H13N5OS (C18 H13 N5 OS)

Compound Name

(2E)-3-phenyl-N-{3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}prop-2-enamide

IUPAC name

(2E)-3-phenyl-N-{3-phenyl-[124]triazolo[34-b][134]thiadiazol-6-yl}prop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)Nc(s1)nn2c1nnc2-c1ccccc1

InChI

InChI=1S/C18H13N5OS/c24-15(12-11-13-7-3-1-4-8-13)19-17-22-23-16(20-21-18(23)25-17)14-9-5-2-6-10-14/h1-12H,(H,19,22,24)

InChI Key

JCIVZJDDWGWNRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27213861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.958

Distribution Coefficient, logD

3.957

Water Solubility, LogSw

-4.22

Polar Surface Area

56.912

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

G952-3157 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 G952-3157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-3157?
Check Price and Availability of G952-3157, 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 G952-3157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-3157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-3157
  • 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 G952-3157 available by request