E919-0074 Screening compound: 5-amino-N-(3,4-dimethoxyphenyl)-1-{[(2,5-dimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

E919-0074 Screening compound: 5-amino-N-(3,4-dimethoxyphenyl)-1-{[(2,5-dimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
E919-0074 Screening compound: 5-amino-N-(3,4-dimethoxyphenyl)-1-{[(2,5-dimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E919-0074
5-amino-N-(3,4-dimethoxyphenyl)-1-{[(2,5-dimethylphenyl)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

E919-0074

Molecular Formula

C21H24N6O4 (C21 H24 N6 O4)

Compound Name

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

IUPAC name

5-amino-N-(34-dimethoxyphenyl)-1-{[(25-dimethylphenyl)carbamoyl]methyl}-1H-123-triazole-4-carboxamide

SMILES

Cc1cc(NC(Cn2nnc(C(Nc(cc3)cc(OC)c3OC)=O)c2N)=O)c(C)cc1

InChI

InChI=1S/C21H24N6O4/c1-12-5-6-13(2)15(9-12)24-18(28)11-27-20(22)19(25-26-27)21(29)23-14-7-8-16(30-3)17(10-14)31-4/h5-10H,11,22H2,1-4H3,(H,23,29)(H,24,28)

InChI Key

FXIFHVCHKOJMIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

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

1.265

Distribution Coefficient, logD

1.265

Water Solubility, LogSw

-2.25

Polar Surface Area

107.000

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E919-0074 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E919-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E919-0074?
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What is the minimum amount of E919-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E919-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E919-0074
  • 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 E919-0074 available by request