G952-0246 Screening compound: 4-methyl-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}benzamide

G952-0246 Screening compound: 4-methyl-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}benzamide
G952-0246 Screening compound: 4-methyl-N-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G952-0246
4-methyl-N-{3-methyl-[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

G952-0246

Molecular Formula

C12H11N5OS (C12 H11 N5 OS)

Compound Name

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

IUPAC name

4-methyl-N-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}benzamide

SMILES

Cc1nnc2sc(NC(c3ccc(C)cc3)=O)nn12

InChI

InChI=1S/C12H11N5OS/c1-7-3-5-9(6-4-7)10(18)13-11-16-17-8(2)14-15-12(17)19-11/h3-6H,1-2H3,(H,13,16,18)

InChI Key

KQLNJVBTZALOHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27170133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.690

Distribution Coefficient, logD

1.289

Water Solubility, LogSw

-2.40

Polar Surface Area

58.174

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G952-0246 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G952-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G952-0246?
Check Price and Availability of G952-0246, 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 G952-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G952-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G952-0246
  • 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 G952-0246 available by request