E919-0077 Screening compound: 5-amino-N-(3,4-dimethoxyphenyl)-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

E919-0077 Screening compound: 5-amino-N-(3,4-dimethoxyphenyl)-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
E919-0077 Screening compound: 5-amino-N-(3,4-dimethoxyphenyl)-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E919-0077
5-amino-N-(3,4-dimethoxyphenyl)-1-{[(2,4,6-trimethylphenyl)carbamoyl]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

E919-0077

Molecular Formula

C22H26N6O4 (C22 H26 N6 O4)

Compound Name

5-amino-N-(3,4-dimethoxyphenyl)-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-N-(34-dimethoxyphenyl)-1-{[(246-trimethylphenyl)carbamoyl]methyl}-1H-123-triazole-4-carboxamide

SMILES

Cc(cc1C)cc(C)c1NC(Cn1nnc(C(Nc(cc2)cc(OC)c2OC)=O)c1N)=O

InChI

InChI=1S/C22H26N6O4/c1-12-8-13(2)19(14(3)9-12)25-18(29)11-28-21(23)20(26-27-28)22(30)24-15-6-7-16(31-4)17(10-15)32-5/h6-10H,11,23H2,1-5H3,(H,24,30)(H,25,29)

InChI Key

XCASUYDYWMRMPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.737

Distribution Coefficient, logD

1.737

Water Solubility, LogSw

-2.45

Polar Surface Area

106.302

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E919-0077 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E919-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E919-0077?
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What is the minimum amount of E919-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E919-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E919-0077
  • 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 E919-0077 available by request