G952-3219 Screening compound: N-[3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-ethoxybenzamide

G952-3219 Screening compound: N-[3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-ethoxybenzamide
G952-3219 Screening compound: N-[3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-3219
N-[3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-ethoxybenzamide

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

G952-3219

Molecular Formula

C18H13ClFN5O2S (C18 H13 ClFN5 O2 S)

Compound Name

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

IUPAC name

N-[3-(3-chloro-4-fluorophenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]-4-ethoxybenzamide

SMILES

CCOc(cc1)ccc1C(Nc(s1)nn2c1nnc2-c(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C18H13ClFN5O2S/c1-2-27-12-6-3-10(4-7-12)16(26)21-17-24-25-15(22-23-18(25)28-17)11-5-8-14(20)13(19)9-11/h3-9H,2H2,1H3,(H,21,24,26)

InChI Key

OHURMPFIMJHVDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27213878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.210

Distribution Coefficient, logD

4.196

Water Solubility, LogSw

-4.55

Polar Surface Area

64.249

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G952-3219 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G952-3219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-3219?
Check Price and Availability of G952-3219, 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 G952-3219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-3219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-3219
  • 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 G952-3219 available by request