L116-2159 Screening compound: N-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide

L116-2159 Screening compound: N-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
L116-2159 Screening compound: N-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L116-2159
N-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-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

L116-2159

Molecular Formula

C21H17F2N5O (C21 H17 F2 N5 O)

Compound Name

N-(2,4-difluorophenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(24-difluorophenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-123-triazole-4-carboxamide

SMILES

Cc1ccc(Cn2nnc(C(Nc(ccc(F)c3)c3F)=O)c2-n2cccc2)cc1

InChI

InChI=1S/C21H17F2N5O/c1-14-4-6-15(7-5-14)13-28-21(27-10-2-3-11-27)19(25-26-28)20(29)24-18-9-8-16(22)12-17(18)23/h2-12H,13H2,1H3,(H,24,29)

InChI Key

SIRXZCHEQQFWFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.307

Distribution Coefficient, logD

4.299

Water Solubility, LogSw

-4.23

Polar Surface Area

52.130

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with L116-2159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L116-2159?
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What is the minimum amount of L116-2159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L116-2159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L116-2159
  • 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 L116-2159 available by request