E919-1162 Screening compound: 5-amino-1-{[(4-ethylphenyl)carbamoyl]methyl}-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

E919-1162 Screening compound: 5-amino-1-{[(4-ethylphenyl)carbamoyl]methyl}-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
E919-1162 Screening compound: 5-amino-1-{[(4-ethylphenyl)carbamoyl]methyl}-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E919-1162
5-amino-1-{[(4-ethylphenyl)carbamoyl]methyl}-N-[(4-methylphenyl)methyl]-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

E919-1162

Molecular Formula

C21H24N6O2 (C21 H24 N6 O2)

Compound Name

5-amino-1-{[(4-ethylphenyl)carbamoyl]methyl}-N-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

n/a

SMILES

CCc(cc1)ccc1NC(Cn1nnc(C(NCc2ccc(C)cc2)=O)c1N)=O

InChI

InChI=1S/C21H24N6O2/c1-3-15-8-10-17(11-9-15)24-18(28)13-27-20(22)19(25-26-27)21(29)23-12-16-6-4-14(2)5-7-16/h4-11H,3,12-13,22H2,1-2H3,(H,23,29)(H,24,28)

InChI Key

OPTLPRUYOBFBIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.634

Distribution Coefficient, logD

2.634

Water Solubility, LogSw

-3.02

Polar Surface Area

93.759

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E919-1162 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E919-1162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E919-1162?
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What is the minimum amount of E919-1162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E919-1162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E919-1162
  • 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 E919-1162 available by request