F414-1127 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3,4-dimethylphenyl)amino]-1H-1,2,3-triazole-4-carboxamide

F414-1127 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3,4-dimethylphenyl)amino]-1H-1,2,3-triazole-4-carboxamide
F414-1127 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3,4-dimethylphenyl)amino]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F414-1127
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3,4-dimethylphenyl)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

F414-1127

Molecular Formula

C19H19N5O3 (C19 H19 N5 O3)

Compound Name

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

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-5-[(34-dimethylphenyl)amino]-1H-123-triazole-4-carboxamide

SMILES

Cc(cc1)c(C)cc1Nc1c(C(Nc(cc2)cc3c2OCCO3)=O)nn[nH]1

InChI

InChI=1S/C19H19N5O3/c1-11-3-4-13(9-12(11)2)20-18-17(22-24-23-18)19(25)21-14-5-6-15-16(10-14)27-8-7-26-15/h3-6,9-10H,7-8H2,1-2H3,(H,21,25)(H2,20,22,23,24)

InChI Key

YXQVIGAVQUIKEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18201796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

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

2.664

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-2.99

Polar Surface Area

85.378

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

F414-1127 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)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F414-1127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F414-1127?
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What is the minimum amount of F414-1127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F414-1127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F414-1127
  • 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 F414-1127 available by request