C200-4939 Screening compound: N-{3-[1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}furan-2-carboxamide

C200-4939 Screening compound: N-{3-[1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}furan-2-carboxamide
C200-4939 Screening compound: N-{3-[1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4939
N-{3-[1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}furan-2-carboxamide

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

C200-4939

Molecular Formula

C17H13ClN6O2S (C17 H13 ClN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c2nsc(NC(c3ccco3)=O)n2)nnn1-c1cc(Cl)c(C)cc1

InChI

InChI=1S/C17H13ClN6O2S/c1-9-5-6-11(8-12(9)18)24-10(2)14(21-23-24)15-19-17(27-22-15)20-16(25)13-4-3-7-26-13/h3-8H,1-2H3,(H,19,20,22,25)

InChI Key

CTEGPAONXPXSNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.054

Distribution Coefficient, logD

4.052

Water Solubility, LogSw

-4.36

Polar Surface Area

79.339

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C200-4939 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 C200-4939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4939?
Check Price and Availability of C200-4939, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-4939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4939
  • 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 C200-4939 available by request