L116-5294 Screening compound: N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide

L116-5294 Screening compound: N-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carboxamide
L116-5294 Screening compound: N-(cyclopropylmethyl)-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 L116-5294
N-(cyclopropylmethyl)-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

L116-5294

Molecular Formula

C19H21N5O2 (C19 H21 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(Cn2nnc(C(NCC3CC3)=O)c2-n2cccc2)cc1

InChI

InChI=1S/C19H21N5O2/c1-26-16-8-6-15(7-9-16)13-24-19(23-10-2-3-11-23)17(21-22-24)18(25)20-12-14-4-5-14/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,20,25)

InChI Key

IRYURPDFAKDQKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27233346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.674

Distribution Coefficient, logD

2.674

Water Solubility, LogSw

-2.80

Polar Surface Area

62.217

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with L116-5294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L116-5294?
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What is the minimum amount of L116-5294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L116-5294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L116-5294
  • 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 L116-5294 available by request