F414-0965 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-fluorophenyl)amino]-1H-1,2,3-triazole-4-carboxamide

F414-0965 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-fluorophenyl)amino]-1H-1,2,3-triazole-4-carboxamide
F414-0965 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-fluorophenyl)amino]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F414-0965
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-fluorophenyl)amino]-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

F414-0965

Molecular Formula

C17H14FN5O3 (C17 H14 FN5 O3)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-fluorophenyl)amino]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-5-[(4-fluorophenyl)amino]-1H-123-triazole-4-carboxamide

SMILES

O=C(c1c(Nc(cc2)ccc2F)[nH]nn1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C17H14FN5O3/c18-10-1-3-11(4-2-10)19-16-15(21-23-22-16)17(24)20-12-5-6-13-14(9-12)26-8-7-25-13/h1-6,9H,7-8H2,(H,20,24)(H2,19,21,22,23)

InChI Key

PQGNWDVFBRTPBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16637805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.705

Distribution Coefficient, logD

1.639

Water Solubility, LogSw

-2.32

Polar Surface Area

85.378

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

F414-0965 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F414-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F414-0965?
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What is the minimum amount of F414-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F414-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F414-0965
  • 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 F414-0965 available by request