C200-4496 Screening compound: 2-chloro-N-{3-[1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide

C200-4496 Screening compound: 2-chloro-N-{3-[1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
C200-4496 Screening compound: 2-chloro-N-{3-[1-(2,5-dimethoxyphenyl)-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 C200-4496
2-chloro-N-{3-[1-(2,5-dimethoxyphenyl)-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

C200-4496

Molecular Formula

C20H17ClN6O3S (C20 H17 ClN6 O3 S)

Compound Name

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

IUPAC name

2-chloro-N-{3-[1-(25-dimethoxyphenyl)-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)OC)c1OC

InChI

InChI=1S/C20H17ClN6O3S/c1-11-17(24-26-27(11)15-10-12(29-2)8-9-16(15)30-3)18-22-20(31-25-18)23-19(28)13-6-4-5-7-14(13)21/h4-10H,1-3H3,(H,22,23,25,28)

InChI Key

XPCITGRQKSKKHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.102

Distribution Coefficient, logD

4.067

Water Solubility, LogSw

-4.50

Polar Surface Area

85.634

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C200-4496 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 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 C200-4496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4496?
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What is the minimum amount of C200-4496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4496
  • 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 C200-4496 available by request