8014-9331 Screening compound: N-(3-chloro-4-methylphenyl)-4-phenyloxane-4-carboxamide

8014-9331 Screening compound: N-(3-chloro-4-methylphenyl)-4-phenyloxane-4-carboxamide
8014-9331 Screening compound: N-(3-chloro-4-methylphenyl)-4-phenyloxane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9331
N-(3-chloro-4-methylphenyl)-4-phenyloxane-4-carboxamide

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

8014-9331

Molecular Formula

C19H20ClNO2 (C19 H20 ClNO2)

Compound Name

N-(3-chloro-4-methylphenyl)-4-phenyloxane-4-carboxamide

IUPAC name

N-(3-chloro-4-methylphenyl)-4-phenyloxane-4-carboxamide

SMILES

Cc(ccc(NC(C1(CCOCC1)c1ccccc1)=O)c1)c1Cl

InChI

InChI=1S/C19H20ClNO2/c1-14-7-8-16(13-17(14)20)21-18(22)19(9-11-23-12-10-19)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,21,22)

InChI Key

DKWNEONFAFAUMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03502296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.026

Distribution Coefficient, logD

5.019

Water Solubility, LogSw

-5.17

Polar Surface Area

31.159

Acid Dissociation Constant (pKa)

9.20

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

8014-9331 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-9331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9331?
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What is the minimum amount of 8014-9331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9331
  • 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 8014-9331 available by request