G952-0354 Screening compound: 2-bromo-N-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}benzamide

G952-0354 Screening compound: 2-bromo-N-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}benzamide
G952-0354 Screening compound: 2-bromo-N-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-0354
2-bromo-N-{3-propyl-[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

G952-0354

Molecular Formula

C13H12BrN5OS (C13 H12 BrN5 OS)

Compound Name

2-bromo-N-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}benzamide

IUPAC name

2-bromo-N-{3-propyl-[124]triazolo[34-b][134]thiadiazol-6-yl}benzamide

SMILES

CCCc1nnc2sc(NC(c(cccc3)c3Br)=O)nn12

InChI

InChI=1S/C13H12BrN5OS/c1-2-5-10-16-17-13-19(10)18-12(21-13)15-11(20)8-6-3-4-7-9(8)14/h3-4,6-7H,2,5H2,1H3,(H,15,18,20)

InChI Key

XWDHEZRITPERSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.24

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

2.753

Distribution Coefficient, logD

1.693

Water Solubility, LogSw

-3.45

Polar Surface Area

58.373

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G952-0354 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with G952-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-0354?
Check Price and Availability of G952-0354, 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 G952-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-0354
  • 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 G952-0354 available by request