D116-0013 Screening compound: 1-(4-chlorobenzoyl)-3-(furan-2-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine

D116-0013 Screening compound: 1-(4-chlorobenzoyl)-3-(furan-2-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine
D116-0013 Screening compound: 1-(4-chlorobenzoyl)-3-(furan-2-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0013
1-(4-chlorobenzoyl)-3-(furan-2-yl)-N-[(thiophen-2-yl)methyl]-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

D116-0013

Molecular Formula

C18H13ClN4O2S (C18 H13 ClN4 O2 S)

Compound Name

1-(4-chlorobenzoyl)-3-(furan-2-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine

IUPAC name

1-(4-chlorobenzoyl)-3-(furan-2-yl)-N-[(thiophen-2-yl)methyl]-1H-124-triazol-5-amine

SMILES

O=C(c(cc1)ccc1Cl)n1nc(-c2ccco2)nc1NCc1cccs1

InChI

InChI=1S/C18H13ClN4O2S/c19-13-7-5-12(6-8-13)17(24)23-18(20-11-14-3-2-10-26-14)21-16(22-23)15-4-1-9-25-15/h1-10H,11H2,(H,20,21,22)

InChI Key

RAJGULUZGSKAMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.006

Distribution Coefficient, logD

4.006

Water Solubility, LogSw

-4.58

Polar Surface Area

58.824

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

D116-0013 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D116-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0013?
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What is the minimum amount of D116-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0013
  • 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 D116-0013 available by request