L116-4980 Screening compound: N-[(4-ethylphenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide

L116-4980 Screening compound: N-[(4-ethylphenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
L116-4980 Screening compound: N-[(4-ethylphenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L116-4980
N-[(4-ethylphenyl)methyl]-1-[(4-fluorophenyl)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

L116-4980

Molecular Formula

C23H22FN5O (C23 H22 FN5 O)

Compound Name

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

IUPAC name

N-[(4-ethylphenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-123-triazole-4-carboxamide

SMILES

CCc1ccc(CNC(c(nnn2Cc(cc3)ccc3F)c2-n2cccc2)=O)cc1

InChI

InChI=1S/C23H22FN5O/c1-2-17-5-7-18(8-6-17)15-25-22(30)21-23(28-13-3-4-14-28)29(27-26-21)16-19-9-11-20(24)12-10-19/h3-14H,2,15-16H2,1H3,(H,25,30)

InChI Key

VYZOYPOWUJZFCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.321

Distribution Coefficient, logD

4.321

Water Solubility, LogSw

-4.16

Polar Surface Area

54.150

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with L116-4980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L116-4980?
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What is the minimum amount of L116-4980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L116-4980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L116-4980
  • 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 L116-4980 available by request