G193-0458 Screening compound: N-{3-[1-(3-chloro-2-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide

G193-0458 Screening compound: N-{3-[1-(3-chloro-2-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide
G193-0458 Screening compound: N-{3-[1-(3-chloro-2-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G193-0458
N-{3-[1-(3-chloro-2-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide

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

G193-0458

Molecular Formula

C21H19ClN6OS (C21 H19 ClN6 OS)

Compound Name

N-{3-[1-(3-chloro-2-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide

IUPAC name

N-{3-[1-(3-chloro-2-methylphenyl)-5-methyl-1H-123-triazol-4-yl]-124-thiadiazol-5-yl}-34-dimethylbenzamide

SMILES

Cc1c(-c2nsc(NC(c3cc(C)c(C)cc3)=O)n2)nnn1-c1cccc(Cl)c1C

InChI

InChI=1S/C21H19ClN6OS/c1-11-8-9-15(10-12(11)2)20(29)24-21-23-19(26-30-21)18-14(4)28(27-25-18)17-7-5-6-16(22)13(17)3/h5-10H,1-4H3,(H,23,24,26,29)

InChI Key

UNEPUQIYBHXRCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14983316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.94

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

5.549

Distribution Coefficient, logD

5.532

Water Solubility, LogSw

-6.04

Polar Surface Area

70.459

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G193-0458 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G193-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G193-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G193-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G193-0458
  • 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 G193-0458 available by request