L116-2460 Screening compound: N-(4-fluoro-2-methylphenyl)-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide

L116-2460 Screening compound: N-(4-fluoro-2-methylphenyl)-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
L116-2460 Screening compound: N-(4-fluoro-2-methylphenyl)-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L116-2460
N-(4-fluoro-2-methylphenyl)-1-[(4-methoxyphenyl)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

L116-2460

Molecular Formula

C22H20FN5O2 (C22 H20 FN5 O2)

Compound Name

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

IUPAC name

N-(4-fluoro-2-methylphenyl)-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-123-triazole-4-carboxamide

SMILES

Cc(cc(cc1)F)c1NC(c(nnn1Cc(cc2)ccc2OC)c1-n1cccc1)=O

InChI

InChI=1S/C22H20FN5O2/c1-15-13-17(23)7-10-19(15)24-21(29)20-22(27-11-3-4-12-27)28(26-25-20)14-16-5-8-18(30-2)9-6-16/h3-13H,14H2,1-2H3,(H,24,29)

InChI Key

WWHLRCZLOATHKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

3.969

Water Solubility, LogSw

-4.09

Polar Surface Area

59.674

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with L116-2460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L116-2460?
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What is the minimum amount of L116-2460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L116-2460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L116-2460
  • 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 L116-2460 available by request