D481-2005 Screening compound: 3-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazol-5-amine

D481-2005 Screening compound: 3-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazol-5-amine
D481-2005 Screening compound: 3-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-2005
3-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazol-5-amine

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

D481-2005

Molecular Formula

C13H9ClN4OS (C13 H9 ClN4 OS)

Compound Name

3-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazol-5-amine

IUPAC name

3-(4-chlorophenyl)-1-(thiophene-2-carbonyl)-1H-124-triazol-5-amine

SMILES

Nc1nc(-c(cc2)ccc2Cl)nn1C(c1cccs1)=O

InChI

InChI=1S/C13H9ClN4OS/c14-9-5-3-8(4-6-9)11-16-13(15)18(17-11)12(19)10-2-1-7-20-10/h1-7H,(H2,15,16,17)

InChI Key

VISYCDMXPVNZOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04147790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.58

Polar Surface Area

58.865

Acid Dissociation Constant (pKa)

19.45

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D481-2005 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D481-2005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-2005?
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What is the minimum amount of D481-2005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-2005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-2005
  • 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 D481-2005 available by request