F414-0047 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(phenylamino)-1H-1,2,3-triazole-4-carboxamide

F414-0047 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(phenylamino)-1H-1,2,3-triazole-4-carboxamide
F414-0047 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(phenylamino)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F414-0047
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(phenylamino)-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

F414-0047

Molecular Formula

C17H15N5O3 (C17 H15 N5 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-(phenylamino)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-(phenylamino)-1H-123-triazole-4-carboxamide

SMILES

O=C(c1c(Nc2ccccc2)[nH]nn1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C17H15N5O3/c23-17(18-9-11-6-7-13-14(8-11)25-10-24-13)15-16(21-22-20-15)19-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,18,23)(H2,19,20,21,22)

InChI Key

XYSSAZNGGPWXFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11997825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.016

Distribution Coefficient, logD

1.914

Water Solubility, LogSw

-2.76

Polar Surface Area

87.993

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

F414-0047 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F414-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F414-0047?
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What is the minimum amount of F414-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F414-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F414-0047
  • 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 F414-0047 available by request