8018-1291 Screening compound: 1-{[(3,5-dimethylpiperidin-1-yl)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one

8018-1291 Screening compound: 1-{[(3,5-dimethylpiperidin-1-yl)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one
8018-1291 Screening compound: 1-{[(3,5-dimethylpiperidin-1-yl)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1291
1-{[(3,5-dimethylpiperidin-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

8018-1291

Molecular Formula

C17H29NO3S (C17 H29 NO3 S)

Compound Name

1-{[(3,5-dimethylpiperidin-1-yl)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one

IUPAC name

1-{[(35-dimethylpiperidin-1-yl)sulfonyl]methyl}-77-dimethylbicyclo[2.2.1]heptan-2-one

SMILES

CC(CC(C)C1)CN1S(CC(CC1)(C(C)(C)C1C1)C1=O)(=O)=O

InChI

InChI=1S/C17H29NO3S/c1-12-7-13(2)10-18(9-12)22(20,21)11-17-6-5-14(8-15(17)19)16(17,3)4/h12-14H,5-11H2,1-4H3

InChI Key

RZFAQGIEMSXELB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06634354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.481

Distribution Coefficient, logD

3.481

Water Solubility, LogSw

-3.49

Polar Surface Area

45.803

Acid Dissociation Constant (pKa)

18.43

Base Dissociation Constant (pKb)

-7.67

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

94.12

8018-1291 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

GPCR Targeted Library (31838 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1291?
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What is the minimum amount of 8018-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1291
  • 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 8018-1291 available by request