E919-1831 Screening compound: 5-amino-1-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide

E919-1831 Screening compound: 5-amino-1-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
E919-1831 Screening compound: 5-amino-1-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E919-1831
5-amino-1-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)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

E919-1831

Molecular Formula

C17H17ClN6O2S (C17 H17 ClN6 O2 S)

Compound Name

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

IUPAC name

5-amino-1-{[(3-chloro-4-methylphenyl)carbamoyl]methyl}-N-[(thiophen-2-yl)methyl]-1H-123-triazole-4-carboxamide

SMILES

Cc(ccc(NC(Cn1nnc(C(NCc2cccs2)=O)c1N)=O)c1)c1Cl

InChI

InChI=1S/C17H17ClN6O2S/c1-10-4-5-11(7-13(10)18)21-14(25)9-24-16(19)15(22-23-24)17(26)20-8-12-3-2-6-27-12/h2-7H,8-9,19H2,1H3,(H,20,26)(H,21,25)

InChI Key

MJYFBCNOWUIHPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.645

Distribution Coefficient, logD

2.645

Water Solubility, LogSw

-3.37

Polar Surface Area

94.777

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

E919-1831 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Receptors Annotated Library (5376 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E919-1831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E919-1831?
Check Price and Availability of E919-1831, 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 E919-1831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E919-1831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E919-1831
  • 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 E919-1831 available by request