L116-1826 Screening compound: 1-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide

L116-1826 Screening compound: 1-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
L116-1826 Screening compound: 1-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L116-1826
1-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-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

L116-1826

Molecular Formula

C21H17ClFN5O (C21 H17 ClFN5 O)

Compound Name

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

IUPAC name

1-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-123-triazole-4-carboxamide

SMILES

Cc(ccc(NC(c(nnn1Cc(cccc2)c2Cl)c1-n1cccc1)=O)c1)c1F

InChI

InChI=1S/C21H17ClFN5O/c1-14-8-9-16(12-18(14)23)24-20(29)19-21(27-10-4-5-11-27)28(26-25-19)13-15-6-2-3-7-17(15)22/h2-12H,13H2,1H3,(H,24,29)

InChI Key

NRRPHSXCMLQEOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.85

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

5.076

Distribution Coefficient, logD

5.075

Water Solubility, LogSw

-5.34

Polar Surface Area

52.828

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with L116-1826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L116-1826?
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What is the minimum amount of L116-1826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L116-1826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L116-1826
  • 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 L116-1826 available by request