D731-0653 Screening compound: 1-(4-chlorophenyl)-5-(2-furyl)-1H-1,2,3-triazole-4-carboxylic acid

D731-0653 Screening compound: 1-(4-chlorophenyl)-5-(2-furyl)-1H-1,2,3-triazole-4-carboxylic acid
D731-0653 Screening compound: 1-(4-chlorophenyl)-5-(2-furyl)-1H-1,2,3-triazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0653
1-(4-chlorophenyl)-5-(2-furyl)-1H-1,2,3-triazole-4-carboxylic acid

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

D731-0653

Molecular Formula

C13H8ClN3O3 (C13 H8 ClN3 O3)

Compound Name

1-(4-chlorophenyl)-5-(2-furyl)-1H-1,2,3-triazole-4-carboxylic acid

IUPAC name

n/a

SMILES

OC(c1c(-c2ccco2)n(-c(cc2)ccc2Cl)nn1)=O

InChI

InChI=1S/C13H8ClN3O3/c14-8-3-5-9(6-4-8)17-12(10-2-1-7-20-10)11(13(18)19)15-16-17/h1-7H,(H,18,19)

InChI Key

YFAZGKCIHTWLAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10037556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.094

Distribution Coefficient, logD

-4.760

Water Solubility, LogSw

-2.53

Polar Surface Area

62.826

Acid Dissociation Constant (pKa)

0.55

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D731-0653 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SH2 Library (10483 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D731-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0653?
Check Price and Availability of D731-0653, 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 D731-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0653
  • 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 D731-0653 available by request