8008-9488 Screening compound: N-(4-methylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide

8008-9488 Screening compound: N-(4-methylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
8008-9488 Screening compound: N-(4-methylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9488
N-(4-methylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-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

8008-9488

Molecular Formula

C21H23NO (C21 H23 NO)

Compound Name

N-(4-methylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide

IUPAC name

N-(4-methylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide

SMILES

Cc(cc1)ccc1NC(C(C1CCC2)C2C1c1ccccc1)=O

InChI

InChI=1S/C21H23NO/c1-14-10-12-16(13-11-14)22-21(23)20-17-8-5-9-18(20)19(17)15-6-3-2-4-7-15/h2-4,6-7,10-13,17-20H,5,8-9H2,1H3,(H,22,23)

InChI Key

QOQVVVQZOSQIPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01061409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.605

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-4.46

Polar Surface Area

23.502

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

8008-9488 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 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
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8008-9488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9488?
Check Price and Availability of 8008-9488, 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 8008-9488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9488
  • 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 8008-9488 available by request