C200-4594 Screening compound: 4-chloro-N-{3-[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide

C200-4594 Screening compound: 4-chloro-N-{3-[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
C200-4594 Screening compound: 4-chloro-N-{3-[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4594
4-chloro-N-{3-[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-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

C200-4594

Molecular Formula

C18H12Cl2N6OS (C18 H12 Cl2 N6 OS)

Compound Name

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

IUPAC name

4-chloro-N-{3-[1-(4-chlorophenyl)-5-methyl-1H-123-triazol-4-yl]-124-thiadiazol-5-yl}benzamide

SMILES

Cc1c(-c2nsc(NC(c(cc3)ccc3Cl)=O)n2)nnn1-c(cc1)ccc1Cl

InChI

InChI=1S/C18H12Cl2N6OS/c1-10-15(23-25-26(10)14-8-6-13(20)7-9-14)16-21-18(28-24-16)22-17(27)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,21,22,24,27)

InChI Key

IIBUZKIJJPLQMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.3

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

4.721

Distribution Coefficient, logD

4.686

Water Solubility, LogSw

-4.94

Polar Surface Area

70.760

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C200-4594 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-4594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4594?
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What is the minimum amount of C200-4594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4594
  • 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 C200-4594 available by request