D296-0016 Screening compound: 1-(4-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1H-1,2,3-triazole-4-carboxamide

D296-0016 Screening compound: 1-(4-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1H-1,2,3-triazole-4-carboxamide
D296-0016 Screening compound: 1-(4-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D296-0016
1-(4-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1H-1,2,3-triazole-4-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

D296-0016

Molecular Formula

C15H9FN6O2S (C15 H9 FN6 O2 S)

Compound Name

1-(4-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(4-fluorophenyl)-N-[5-(furan-2-yl)-134-thiadiazol-2-yl]-1H-123-triazole-4-carboxamide

SMILES

O=C(c1cn(-c(cc2)ccc2F)nn1)Nc1nnc(-c2ccco2)s1

InChI

InChI=1S/C15H9FN6O2S/c16-9-3-5-10(6-4-9)22-8-11(18-21-22)13(23)17-15-20-19-14(25-15)12-2-1-7-24-12/h1-8H,(H,17,20,23)

InChI Key

CMCMNYRTTUMSBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.822

Distribution Coefficient, logD

2.820

Water Solubility, LogSw

-3.43

Polar Surface Area

81.547

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D296-0016 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D296-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D296-0016?
Check Price and Availability of D296-0016, 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 D296-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D296-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D296-0016
  • 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 D296-0016 available by request