C200-4997 Screening compound: N-{3-[1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}furan-2-carboxamide

C200-4997 Screening compound: N-{3-[1-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}furan-2-carboxamide
C200-4997 Screening compound: N-{3-[1-(5-chloro-2,4-dimethoxyphenyl)-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 C200-4997
N-{3-[1-(5-chloro-2,4-dimethoxyphenyl)-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

C200-4997

Molecular Formula

C18H15ClN6O4S (C18 H15 ClN6 O4 S)

Compound Name

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

IUPAC name

N-{3-[1-(5-chloro-24-dimethoxyphenyl)-5-methyl-1H-123-triazol-4-yl]-124-thiadiazol-5-yl}furan-2-carboxamide

SMILES

Cc1c(-c2nsc(NC(c3ccco3)=O)n2)nnn1-c(c(OC)c1)cc(Cl)c1OC

InChI

InChI=1S/C18H15ClN6O4S/c1-9-15(16-20-18(30-23-16)21-17(26)12-5-4-6-29-12)22-24-25(9)11-7-10(19)13(27-2)8-14(11)28-3/h4-8H,1-3H3,(H,20,21,23,26)

InChI Key

OSPGQNSJVGXJAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.480

Distribution Coefficient, logD

3.478

Water Solubility, LogSw

-3.92

Polar Surface Area

94.299

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C200-4997 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • 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 C200-4997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4997?
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What is the minimum amount of C200-4997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4997
  • 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 C200-4997 available by request