8001-7597 Screening compound: 2-(3-phenyl-1-pyrrolidinyl)-1-cyclohexanol

8001-7597 Screening compound: 2-(3-phenyl-1-pyrrolidinyl)-1-cyclohexanol
8001-7597 Screening compound: 2-(3-phenyl-1-pyrrolidinyl)-1-cyclohexanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-7597
2-(3-phenyl-1-pyrrolidinyl)-1-cyclohexanol

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

8001-7597

Molecular Formula

C16H23NO (C16 H23 NO)

Compound Name

2-(3-phenyl-1-pyrrolidinyl)-1-cyclohexanol

IUPAC name

2-(3-phenylpyrrolidin-1-yl)cyclohexan-1-ol

SMILES

OC(CCCC1)C1N(CC1)CC1c1ccccc1

InChI

InChI=1S/C16H23NO/c18-16-9-5-4-8-15(16)17-11-10-14(12-17)13-6-2-1-3-7-13/h1-3,6-7,14-16,18H,4-5,8-12H2

InChI Key

LRWOETBLULBTDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00442571

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

245.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.732

Distribution Coefficient, logD

1.083

Water Solubility, LogSw

-2.59

Polar Surface Area

18.633

Acid Dissociation Constant (pKa)

17.11

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

62.50

8001-7597 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

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 8001-7597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-7597?
Check Price and Availability of 8001-7597, 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 8001-7597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-7597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-7597
  • 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 8001-7597 available by request