8012-9382 Screening compound: N-(2,6-dichlorophenyl)-4-phenyloxane-4-carboxamide

8012-9382 Screening compound: N-(2,6-dichlorophenyl)-4-phenyloxane-4-carboxamide
8012-9382 Screening compound: N-(2,6-dichlorophenyl)-4-phenyloxane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9382
N-(2,6-dichlorophenyl)-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

8012-9382

Molecular Formula

C18H17Cl2NO2 (C18 H17 Cl2 NO2)

Compound Name

N-(2,6-dichlorophenyl)-4-phenyloxane-4-carboxamide

IUPAC name

N-(26-dichlorophenyl)-4-phenyloxane-4-carboxamide

SMILES

O=C(C1(CCOCC1)c1ccccc1)Nc(c(Cl)ccc1)c1Cl

InChI

InChI=1S/C18H17Cl2NO2/c19-14-7-4-8-15(20)16(14)21-17(22)18(9-11-23-12-10-18)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,21,22)

InChI Key

OMCHKKDOLQAEEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02764262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.24

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

4.627

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.68

Polar Surface Area

29.763

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

8012-9382 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8012-9382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9382?
Check Price and Availability of 8012-9382, 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 8012-9382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9382
  • 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 8012-9382 available by request