D116-0012 Screening compound: 1-(4-fluorobenzoyl)-3-(furan-2-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine

D116-0012 Screening compound: 1-(4-fluorobenzoyl)-3-(furan-2-yl)-N-[(thiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine
D116-0012 Screening compound: 1-(4-fluorobenzoyl)-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 D116-0012
1-(4-fluorobenzoyl)-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

D116-0012

Molecular Formula

C18H13FN4O2S (C18 H13 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1F)n1nc(-c2ccco2)nc1NCc1cccs1

InChI

InChI=1S/C18H13FN4O2S/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

QEPBXBAWFQONDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08285099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.39

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

3.440

Distribution Coefficient, logD

3.440

Water Solubility, LogSw

-3.72

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

D116-0012 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D116-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0012?
Check Price and Availability of D116-0012, 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 D116-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0012
  • 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 D116-0012 available by request