J016-0374 Screening compound: N-(4-bromophenyl)-2-[4-ethyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide

J016-0374 Screening compound: N-(4-bromophenyl)-2-[4-ethyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
J016-0374 Screening compound: N-(4-bromophenyl)-2-[4-ethyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J016-0374
N-(4-bromophenyl)-2-[4-ethyl-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

J016-0374

Molecular Formula

C18H17BrN4O2 (C18 H17 BrN4 O2)

Compound Name

N-(4-bromophenyl)-2-[4-ethyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide

IUPAC name

N-(4-bromophenyl)-2-[4-ethyl-2-(4H-124-triazol-4-yl)phenoxy]acetamide

SMILES

CCc(cc1)cc(-n2cnnc2)c1OCC(Nc(cc1)ccc1Br)=O

InChI

InChI=1S/C18H17BrN4O2/c1-2-13-3-8-17(16(9-13)23-11-20-21-12-23)25-10-18(24)22-15-6-4-14(19)5-7-15/h3-9,11-12H,2,10H2,1H3,(H,22,24)

InChI Key

HFJOGVTYEXFEFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.826

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-4.02

Polar Surface Area

56.433

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

J016-0374 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with J016-0374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J016-0374?
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What is the minimum amount of J016-0374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J016-0374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J016-0374
  • 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 J016-0374 available by request