F760-0198 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-(1H-pyrrol-1-yl)cyclohexane-1-carboxamide

F760-0198 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-(1H-pyrrol-1-yl)cyclohexane-1-carboxamide
F760-0198 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-(1H-pyrrol-1-yl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F760-0198
N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-(1H-pyrrol-1-yl)cyclohexane-1-carboxamide

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

F760-0198

Molecular Formula

C25H35N3O (C25 H35 N3 O)

Compound Name

N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-(1H-pyrrol-1-yl)cyclohexane-1-carboxamide

IUPAC name

N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-(1H-pyrrol-1-yl)cyclohexane-1-carboxamide

SMILES

O=C(C1(CCCCC1)n1cccc1)NCCN1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C25H35N3O/c29-24(25(13-5-2-6-14-25)28-16-7-8-17-28)26-15-20-27-18-11-23(12-19-27)21-22-9-3-1-4-10-22/h1,3-4,7-10,16-17,23H,2,5-6,11-15,18-21H2,(H,26,29)

InChI Key

OZEFPYZHENBALS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14966004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.077

Distribution Coefficient, logD

3.941

Water Solubility, LogSw

-4.77

Polar Surface Area

32.007

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

8.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

F760-0198 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)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • 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 F760-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F760-0198?
Check Price and Availability of F760-0198, 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 F760-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F760-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F760-0198
  • 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 F760-0198 available by request