G952-3136 Screening compound: 4-bromo-N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide

G952-3136 Screening compound: 4-bromo-N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
G952-3136 Screening compound: 4-bromo-N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-3136
4-bromo-N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide

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

G952-3136

Molecular Formula

C18H14BrN5O2S (C18 H14 BrN5 O2 S)

Compound Name

4-bromo-N-[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide

IUPAC name

4-bromo-N-[3-(4-ethoxyphenyl)-[124]triazolo[34-b][134]thiadiazol-6-yl]benzamide

SMILES

CCOc(cc1)ccc1-c1nnc2sc(NC(c(cc3)ccc3Br)=O)nn12

InChI

InChI=1S/C18H14BrN5O2S/c1-2-26-14-9-5-11(6-10-14)15-21-22-18-24(15)23-17(27-18)20-16(25)12-3-7-13(19)8-4-12/h3-10H,2H2,1H3,(H,20,23,25)

InChI Key

KJYTUPHRUWYZAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27213859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.31

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

4.506

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.12

Polar Surface Area

64.249

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G952-3136 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G952-3136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-3136?
Check Price and Availability of G952-3136, 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 G952-3136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-3136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-3136
  • 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 G952-3136 available by request