8012-4310 Screening compound: 4-phenoxy-N-(3,3,5-trimethylcyclohexyl)benzamide

8012-4310 Screening compound: 4-phenoxy-N-(3,3,5-trimethylcyclohexyl)benzamide
8012-4310 Screening compound: 4-phenoxy-N-(3,3,5-trimethylcyclohexyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4310
4-phenoxy-N-(3,3,5-trimethylcyclohexyl)benzamide

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

8012-4310

Molecular Formula

C22H27NO2 (C22 H27 NO2)

Compound Name

4-phenoxy-N-(3,3,5-trimethylcyclohexyl)benzamide

IUPAC name

4-phenoxy-N-(335-trimethylcyclohexyl)benzamide

SMILES

CC(C1)CC(C)(C)CC1NC(c(cc1)ccc1Oc1ccccc1)=O

InChI

InChI=1S/C22H27NO2/c1-16-13-18(15-22(2,3)14-16)23-21(24)17-9-11-20(12-10-17)25-19-7-5-4-6-8-19/h4-12,16,18H,13-15H2,1-3H3,(H,23,24)

InChI Key

SFODDILKGLAIRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00373014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.492

Distribution Coefficient, logD

5.492

Water Solubility, LogSw

-5.57

Polar Surface Area

31.125

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.90

8012-4310 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8012-4310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4310?
Check Price and Availability of 8012-4310, 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 8012-4310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4310
  • 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 8012-4310 available by request