8013-3912 Screening compound: 1-phenyl-3-(piperidin-1-yl)propyl 1-phenylcyclopentane-1-carboxylate

8013-3912 Screening compound: 1-phenyl-3-(piperidin-1-yl)propyl 1-phenylcyclopentane-1-carboxylate
8013-3912 Screening compound: 1-phenyl-3-(piperidin-1-yl)propyl 1-phenylcyclopentane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3912
1-phenyl-3-(piperidin-1-yl)propyl 1-phenylcyclopentane-1-carboxylate

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

8013-3912

Molecular Formula

C26H33NO2 (C26 H33 NO2)

Compound Name

1-phenyl-3-(piperidin-1-yl)propyl 1-phenylcyclopentane-1-carboxylate

IUPAC name

1-phenyl-3-(piperidin-1-yl)propyl 1-phenylcyclopentane-1-carboxylate

SMILES

O=C(C1(CCCC1)c1ccccc1)OC(CCN1CCCCC1)c1ccccc1

InChI

InChI=1S/C26H33NO2/c28-25(26(17-8-9-18-26)23-14-6-2-7-15-23)29-24(22-12-4-1-5-13-22)16-21-27-19-10-3-11-20-27/h1-2,4-7,12-15,24H,3,8-11,16-21H2/t24-/m0/s1

InChI Key

BZMZWKSKBOURSX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03663003

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

391.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.325

Distribution Coefficient, logD

2.804

Water Solubility, LogSw

-5.55

Polar Surface Area

24.267

Acid Dissociation Constant (pKa)

24.75

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

8013-3912 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-3912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3912?
Check Price and Availability of 8013-3912, 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 8013-3912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3912
  • 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 8013-3912 available by request