D296-0046 Screening compound: 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide

D296-0046 Screening compound: 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
D296-0046 Screening compound: 1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D296-0046
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-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

D296-0046

Molecular Formula

C19H16FN5O (C19 H16 FN5 O)

Compound Name

1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1H-123-triazole-4-carboxamide

SMILES

O=C(c1cn(-c(cc2)ccc2F)nn1)NCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C19H16FN5O/c20-14-5-7-15(8-6-14)25-12-18(23-24-25)19(26)21-10-9-13-11-22-17-4-2-1-3-16(13)17/h1-8,11-12,22H,9-10H2,(H,21,26)

InChI Key

PVSYIUBFDCFNPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.928

Distribution Coefficient, logD

2.928

Water Solubility, LogSw

-3.12

Polar Surface Area

60.729

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D296-0046 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D296-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D296-0046?
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What is the minimum amount of D296-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D296-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D296-0046
  • 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 D296-0046 available by request