J015-0412 Screening compound: 2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-cycloheptylacetamide

J015-0412 Screening compound: 2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-cycloheptylacetamide
J015-0412 Screening compound: 2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-cycloheptylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J015-0412
2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-cycloheptylacetamide

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

J015-0412

Molecular Formula

C17H21ClN4O2 (C17 H21 ClN4 O2)

Compound Name

2-[4-chloro-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-cycloheptylacetamide

IUPAC name

2-[4-chloro-2-(4H-124-triazol-4-yl)phenoxy]-N-cycloheptylacetamide

SMILES

O=C(COc(ccc(Cl)c1)c1-n1cnnc1)NC1CCCCCC1

InChI

InChI=1S/C17H21ClN4O2/c18-13-7-8-16(15(9-13)22-11-19-20-12-22)24-10-17(23)21-14-5-3-1-2-4-6-14/h7-9,11-12,14H,1-6,10H2,(H,21,23)

InChI Key

OZLUKCVLZYIMEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-3.52

Polar Surface Area

57.811

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

J015-0412 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with J015-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J015-0412?
Check Price and Availability of J015-0412, 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 J015-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J015-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J015-0412
  • 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 J015-0412 available by request