8011-8534 Screening compound: 5,5,6-trimethyl-3-[phenyl(phenylamino)methyl]bicyclo[2.2.1]heptan-2-one

8011-8534 Screening compound: 5,5,6-trimethyl-3-[phenyl(phenylamino)methyl]bicyclo[2.2.1]heptan-2-one
8011-8534 Screening compound: 5,5,6-trimethyl-3-[phenyl(phenylamino)methyl]bicyclo[2.2.1]heptan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8534
5,5,6-trimethyl-3-[phenyl(phenylamino)methyl]bicyclo[2.2.1]heptan-2-one

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

8011-8534

Molecular Formula

C23H27NO (C23 H27 NO)

Compound Name

5,5,6-trimethyl-3-[phenyl(phenylamino)methyl]bicyclo[2.2.1]heptan-2-one

IUPAC name

556-trimethyl-3-[phenyl(phenylamino)methyl]bicyclo[2.2.1]heptan-2-one

SMILES

CC(C1C2)C(C)(C)C2C(C(c2ccccc2)Nc2ccccc2)C1=O

InChI

InChI=1S/C23H27NO/c1-15-18-14-19(23(15,2)3)20(22(18)25)21(16-10-6-4-7-11-16)24-17-12-8-5-9-13-17/h4-13,15,18-21,24H,14H2,1-3H3

InChI Key

AFKLAVFLSMAXRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03067041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.47

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

5.291

Distribution Coefficient, logD

5.291

Water Solubility, LogSw

-5.40

Polar Surface Area

23.545

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

43.50

8011-8534 in Drug Discovery

Included in Screening Libraries

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

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

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8011-8534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8534?
Check Price and Availability of 8011-8534, 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 8011-8534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8534
  • 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 8011-8534 available by request