G193-0453 Screening compound: N-{3-[1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide

G193-0453 Screening compound: N-{3-[1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-3,4-dimethylbenzamide
G193-0453 Screening compound: N-{3-[1-(3-chloro-4-methoxyphenyl)-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 G193-0453
N-{3-[1-(3-chloro-4-methoxyphenyl)-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

G193-0453

Molecular Formula

C21H19ClN6O2S (C21 H19 ClN6 O2 S)

Compound Name

N-{3-[1-(3-chloro-4-methoxyphenyl)-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-4-methoxyphenyl)-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-c(cc1)cc(Cl)c1OC

InChI

InChI=1S/C21H19ClN6O2S/c1-11-5-6-14(9-12(11)2)20(29)24-21-23-19(26-31-21)18-13(3)28(27-25-18)15-7-8-17(30-4)16(22)10-15/h5-10H,1-4H3,(H,23,24,26,29)

InChI Key

UZJZFBWKNJMCFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14983311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.887

Distribution Coefficient, logD

4.870

Water Solubility, LogSw

-5.15

Polar Surface Area

78.391

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G193-0453 in Drug Discovery

Included in Screening Libraries

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 G193-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G193-0453?
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What is the minimum amount of G193-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G193-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G193-0453
  • 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 G193-0453 available by request