8018-5923 Screening compound: 1-{[(4-benzylpiperidin-1-yl)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one

8018-5923 Screening compound: 1-{[(4-benzylpiperidin-1-yl)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one
8018-5923 Screening compound: 1-{[(4-benzylpiperidin-1-yl)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5923
1-{[(4-benzylpiperidin-1-yl)sulfonyl]methyl}-7,7-dimethylbicyclo[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

8018-5923

Molecular Formula

C22H31NO3S (C22 H31 NO3 S)

Compound Name

1-{[(4-benzylpiperidin-1-yl)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one

IUPAC name

1-{[(4-benzylpiperidin-1-yl)sulfonyl]methyl}-77-dimethylbicyclo[2.2.1]heptan-2-one

SMILES

CC(C)(C(CC1)C2)C1(CS(N1CCC(Cc3ccccc3)CC1)(=O)=O)C2=O

InChI

InChI=1S/C22H31NO3S/c1-21(2)19-8-11-22(21,20(24)15-19)16-27(25,26)23-12-9-18(10-13-23)14-17-6-4-3-5-7-17/h3-7,18-19H,8-16H2,1-2H3

InChI Key

CMJBXHCEWSTHJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03957022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.618

Distribution Coefficient, logD

4.618

Water Solubility, LogSw

-4.40

Polar Surface Area

45.665

Acid Dissociation Constant (pKa)

18.43

Base Dissociation Constant (pKb)

-8.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.20

8018-5923 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-5923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5923?
Check Price and Availability of 8018-5923, 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 8018-5923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5923
  • 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 8018-5923 available by request