G193-0696 Screening compound: N-{3-[1-(2,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-methylbenzamide

G193-0696 Screening compound: N-{3-[1-(2,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-methylbenzamide
G193-0696 Screening compound: N-{3-[1-(2,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G193-0696
N-{3-[1-(2,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-methylbenzamide

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

G193-0696

Molecular Formula

C21H20N6OS (C21 H20 N6 OS)

Compound Name

N-{3-[1-(2,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3-methylbenzamide

IUPAC name

N-{3-[1-(25-dimethylphenyl)-5-methyl-1H-123-triazol-4-yl]-124-thiadiazol-5-yl}-3-methylbenzamide

SMILES

Cc1c(-c2nsc(NC(c3cc(C)ccc3)=O)n2)nnn1-c1c(C)ccc(C)c1

InChI

InChI=1S/C21H20N6OS/c1-12-6-5-7-16(10-12)20(28)23-21-22-19(25-29-21)18-15(4)27(26-24-18)17-11-13(2)8-9-14(17)3/h5-11H,1-4H3,(H,22,23,25,28)

InChI Key

FWMJGYXVTOAFFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14983467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.861

Distribution Coefficient, logD

4.847

Water Solubility, LogSw

-4.63

Polar Surface Area

70.459

Acid Dissociation Constant (pKa)

8.88

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G193-0696 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G193-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G193-0696?
Check Price and Availability of G193-0696, 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 G193-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G193-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G193-0696
  • 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 G193-0696 available by request