C200-4502 Screening compound: 2-chloro-N-{3-[1-(5-chloro-2-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide

C200-4502 Screening compound: 2-chloro-N-{3-[1-(5-chloro-2-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
C200-4502 Screening compound: 2-chloro-N-{3-[1-(5-chloro-2-methoxyphenyl)-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 C200-4502
2-chloro-N-{3-[1-(5-chloro-2-methoxyphenyl)-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

C200-4502

Molecular Formula

C19H14Cl2N6O2S (C19 H14 Cl2 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c2nsc(NC(c(cccc3)c3Cl)=O)n2)nnn1-c(cc(cc1)Cl)c1OC

InChI

InChI=1S/C19H14Cl2N6O2S/c1-10-16(24-26-27(10)14-9-11(20)7-8-15(14)29-2)17-22-19(30-25-17)23-18(28)12-5-3-4-6-13(12)21/h3-9H,1-2H3,(H,22,23,25,28)

InChI Key

LFYGSCOYMZKKAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.33

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

4.371

Distribution Coefficient, logD

4.336

Water Solubility, LogSw

-4.58

Polar Surface Area

78.090

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C200-4502 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-4502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4502?
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What is the minimum amount of C200-4502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4502
  • 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 C200-4502 available by request