J016-0057 Screening compound: N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide

J016-0057 Screening compound: N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide
J016-0057 Screening compound: N-(1,2-dihydroacenaphthylen-5-yl)-2-[4-methyl-2-(4H-1,2,4-triazol-4-yl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J016-0057
N-(1,2-dihydroacenaphthylen-5-yl)-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

J016-0057

Molecular Formula

C23H20N4O2 (C23 H20 N4 O2)

Compound Name

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

IUPAC name

N-(12-dihydroacenaphthylen-5-yl)-2-[4-methyl-2-(4H-124-triazol-4-yl)phenoxy]acetamide

SMILES

Cc(cc1)cc(-n2cnnc2)c1OCC(Nc1ccc(CC2)c3c2cccc13)=O

InChI

InChI=1S/C23H20N4O2/c1-15-5-10-21(20(11-15)27-13-24-25-14-27)29-12-22(28)26-19-9-8-17-7-6-16-3-2-4-18(19)23(16)17/h2-5,8-11,13-14H,6-7,12H2,1H3,(H,26,28)

InChI Key

FFUIYMMVBVSDKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.44

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

4.105

Distribution Coefficient, logD

4.104

Water Solubility, LogSw

-4.59

Polar Surface Area

55.750

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

J016-0057 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J016-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J016-0057?
Check Price and Availability of J016-0057, 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 J016-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J016-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J016-0057
  • 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 J016-0057 available by request