G952-3184 Screening compound: (2E)-N-[3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylprop-2-enamide

G952-3184 Screening compound: (2E)-N-[3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylprop-2-enamide
G952-3184 Screening compound: (2E)-N-[3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-3184
(2E)-N-[3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylprop-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

G952-3184

Molecular Formula

C18H11ClFN5OS (C18 H11 ClFN5 OS)

Compound Name

(2E)-N-[3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-3-phenylprop-2-enamide

IUPAC name

(2E)-N-[3-(3-chloro-4-fluorophenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-3-phenylprop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)Nc(s1)nn2c1nnc2-c(cc1)cc(Cl)c1F

InChI

InChI=1S/C18H11ClFN5OS/c19-13-10-12(7-8-14(13)20)16-22-23-18-25(16)24-17(27-18)21-15(26)9-6-11-4-2-1-3-5-11/h1-10H,(H,21,24,26)

InChI Key

LZAFZDWISMASHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27213868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.84

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

4.601

Distribution Coefficient, logD

4.600

Water Solubility, LogSw

-4.90

Polar Surface Area

56.912

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

G952-3184 in Drug Discovery

Included in Screening Libraries

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

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 G952-3184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-3184?
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What is the minimum amount of G952-3184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-3184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-3184
  • 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 G952-3184 available by request