E919-0078 Screening compound: 5-amino-1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-N-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide

E919-0078 Screening compound: 5-amino-1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-N-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
E919-0078 Screening compound: 5-amino-1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-N-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E919-0078
5-amino-1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-N-(3,4-dimethoxyphenyl)-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

E919-0078

Molecular Formula

C20H21ClN6O4 (C20 H21 ClN6 O4)

Compound Name

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

IUPAC name

5-amino-1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-N-(34-dimethoxyphenyl)-1H-123-triazole-4-carboxamide

SMILES

Cc(ccc(Cl)c1)c1NC(Cn1nnc(C(Nc(cc2)cc(OC)c2OC)=O)c1N)=O

InChI

InChI=1S/C20H21ClN6O4/c1-11-4-5-12(21)8-14(11)24-17(28)10-27-19(22)18(25-26-27)20(29)23-13-6-7-15(30-2)16(9-13)31-3/h4-9H,10,22H2,1-3H3,(H,23,29)(H,24,28)

InChI Key

PWSLNQQLBSBRRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.88

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

1.681

Distribution Coefficient, logD

1.681

Water Solubility, LogSw

-2.77

Polar Surface Area

107.000

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E919-0078 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 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 E919-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E919-0078?
Check Price and Availability of E919-0078, 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 E919-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E919-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E919-0078
  • 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 E919-0078 available by request