J016-0013 Screening compound: N-(3-acetylphenyl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide

J016-0013 Screening compound: N-(3-acetylphenyl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
J016-0013 Screening compound: N-(3-acetylphenyl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J016-0013
N-(3-acetylphenyl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]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

J016-0013

Molecular Formula

C19H18N4O3 (C19 H18 N4 O3)

Compound Name

N-(3-acetylphenyl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide

IUPAC name

N-(3-acetylphenyl)-2-[4-methyl-2-(4H-124-triazol-4-yl)phenoxy]acetamide

SMILES

CC(c1cccc(NC(COc(ccc(C)c2)c2-n2cnnc2)=O)c1)=O

InChI

InChI=1S/C19H18N4O3/c1-13-6-7-18(17(8-13)23-11-20-21-12-23)26-10-19(25)22-16-5-3-4-15(9-16)14(2)24/h3-9,11-12H,10H2,1-2H3,(H,22,25)

InChI Key

FYSMXXYGZNTHNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.259

Distribution Coefficient, logD

2.259

Water Solubility, LogSw

-2.93

Polar Surface Area

70.260

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

J016-0013 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with J016-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J016-0013?
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What is the minimum amount of J016-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J016-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J016-0013
  • 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 J016-0013 available by request