J016-0066 Screening compound: 2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[2-(naphthalen-1-yl)-1,3-benzoxazol-5-yl]acetamide

J016-0066 Screening compound: 2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[2-(naphthalen-1-yl)-1,3-benzoxazol-5-yl]acetamide
J016-0066 Screening compound: 2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[2-(naphthalen-1-yl)-1,3-benzoxazol-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J016-0066
2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[2-(naphthalen-1-yl)-1,3-benzoxazol-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

J016-0066

Molecular Formula

C28H21N5O3 (C28 H21 N5 O3)

Compound Name

2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]-N-[2-(naphthalen-1-yl)-1,3-benzoxazol-5-yl]acetamide

IUPAC name

2-[4-methyl-2-(4H-124-triazol-4-yl)phenoxy]-N-[2-(naphthalen-1-yl)-13-benzoxazol-5-yl]acetamide

SMILES

Cc(cc1)cc(-n2cnnc2)c1OCC(Nc(cc1)cc2c1oc(-c1cccc3ccccc13)n2)=O

InChI

InChI=1S/C28H21N5O3/c1-18-9-11-26(24(13-18)33-16-29-30-17-33)35-15-27(34)31-20-10-12-25-23(14-20)32-28(36-25)22-8-4-6-19-5-2-3-7-21(19)22/h2-14,16-17H,15H2,1H3,(H,31,34)

InChI Key

PMQOBJQCYPWMDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.918

Distribution Coefficient, logD

4.918

Water Solubility, LogSw

-5.37

Polar Surface Area

72.972

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

J016-0066 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J016-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J016-0066?
Check Price and Availability of J016-0066, 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 J016-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J016-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J016-0066
  • 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 J016-0066 available by request