E919-1610 Screening compound: 5-amino-1-{[(2,5-dimethylphenyl)carbamoyl]methyl}-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

E919-1610 Screening compound: 5-amino-1-{[(2,5-dimethylphenyl)carbamoyl]methyl}-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
E919-1610 Screening compound: 5-amino-1-{[(2,5-dimethylphenyl)carbamoyl]methyl}-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E919-1610
5-amino-1-{[(2,5-dimethylphenyl)carbamoyl]methyl}-N-[(3-methoxyphenyl)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

E919-1610

Molecular Formula

C21H24N6O3 (C21 H24 N6 O3)

Compound Name

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

IUPAC name

5-amino-1-{[(25-dimethylphenyl)carbamoyl]methyl}-N-[(3-methoxyphenyl)methyl]-1H-123-triazole-4-carboxamide

SMILES

Cc1cc(NC(Cn2nnc(C(NCc3cc(OC)ccc3)=O)c2N)=O)c(C)cc1

InChI

InChI=1S/C21H24N6O3/c1-13-7-8-14(2)17(9-13)24-18(28)12-27-20(22)19(25-26-27)21(29)23-11-15-5-4-6-16(10-15)30-3/h4-10H,11-12,22H2,1-3H3,(H,23,29)(H,24,28)

InChI Key

NDFGVILRKJFZNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.418

Distribution Coefficient, logD

1.418

Water Solubility, LogSw

-2.09

Polar Surface Area

100.605

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E919-1610 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 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 E919-1610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E919-1610?
Check Price and Availability of E919-1610, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E919-1610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E919-1610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E919-1610
  • 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 E919-1610 available by request