8018-7461 Screening compound: 2-{bicyclo[2.2.1]hept-5-en-2-yl}-5-(piperidin-1-yl)pent-3-yn-2-ol

8018-7461 Screening compound: 2-{bicyclo[2.2.1]hept-5-en-2-yl}-5-(piperidin-1-yl)pent-3-yn-2-ol
8018-7461 Screening compound: 2-{bicyclo[2.2.1]hept-5-en-2-yl}-5-(piperidin-1-yl)pent-3-yn-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7461
2-{bicyclo[2.2.1]hept-5-en-2-yl}-5-(piperidin-1-yl)pent-3-yn-2-ol

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

8018-7461

Molecular Formula

C17H25NO (C17 H25 NO)

Compound Name

2-{bicyclo[2.2.1]hept-5-en-2-yl}-5-(piperidin-1-yl)pent-3-yn-2-ol

IUPAC name

2-{bicyclo[2.2.1]hept-5-en-2-yl}-5-(piperidin-1-yl)pent-3-yn-2-ol

SMILES

CC(C(C1)C2C=CC1C2)(C#CCN1CCCCC1)O

InChI

InChI=1S/C17H25NO/c1-17(19,16-13-14-6-7-15(16)12-14)8-5-11-18-9-3-2-4-10-18/h6-7,14-16,19H,2-4,9-13H2,1H3

InChI Key

YBFNITOTPFSZHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09266498

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

259.39

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

3.511

Distribution Coefficient, logD

3.277

Water Solubility, LogSw

-3.48

Polar Surface Area

20.656

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

76.47

8018-7461 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)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-7461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7461?
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What is the minimum amount of 8018-7461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7461
  • 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 8018-7461 available by request