F414-0855 Screening compound: 5-[(2-chlorophenyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide

F414-0855 Screening compound: 5-[(2-chlorophenyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide
F414-0855 Screening compound: 5-[(2-chlorophenyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F414-0855
5-[(2-chlorophenyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-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

F414-0855

Molecular Formula

C17H14ClN5O3 (C17 H14 ClN5 O3)

Compound Name

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

IUPAC name

5-[(2-chlorophenyl)amino]-N-(23-dihydro-14-benzodioxin-6-yl)-1H-123-triazole-4-carboxamide

SMILES

O=C(c1c(Nc(cccc2)c2Cl)[nH]nn1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C17H14ClN5O3/c18-11-3-1-2-4-12(11)20-16-15(21-23-22-16)17(24)19-10-5-6-13-14(9-10)26-8-7-25-13/h1-6,9H,7-8H2,(H,19,24)(H2,20,21,22,23)

InChI Key

WYPRBROZOCQRSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.78

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

1.994

Distribution Coefficient, logD

1.928

Water Solubility, LogSw

-2.76

Polar Surface Area

84.681

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

F414-0855 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F414-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F414-0855?
Check Price and Availability of F414-0855, 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 F414-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F414-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F414-0855
  • 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 F414-0855 available by request