J016-0040 Screening compound: 2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)acetamide

J016-0040 Screening compound: 2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)acetamide
J016-0040 Screening compound: 2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J016-0040
2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)acetamide

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

J016-0040

Molecular Formula

C18H16N6O3 (C18 H16 N6 O3)

Compound Name

2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-(2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl)acetamide

IUPAC name

2-[4-methyl-2-(4H-124-triazol-4-yl)phenoxy]-N-(2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)acetamide

SMILES

Cc(cc1)cc(-n2cnnc2)c1OCC(Nc(cc1)cc(N2)c1NC2=O)=O

InChI

InChI=1S/C18H16N6O3/c1-11-2-5-16(15(6-11)24-9-19-20-10-24)27-8-17(25)21-12-3-4-13-14(7-12)23-18(26)22-13/h2-7,9-10H,8H2,1H3,(H,21,25)(H2,22,23,26)

InChI Key

NVPISVVIYIIRMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27217891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.676

Distribution Coefficient, logD

1.676

Water Solubility, LogSw

-2.36

Polar Surface Area

92.160

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

J016-0040 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J016-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J016-0040?
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What is the minimum amount of J016-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J016-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J016-0040
  • 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 J016-0040 available by request