P518-0441 Screening compound: N~2~-(1-benzyl-4-piperidyl)-5-cyclopentyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide

P518-0441 Screening compound: N~2~-(1-benzyl-4-piperidyl)-5-cyclopentyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide
P518-0441 Screening compound: N~2~-(1-benzyl-4-piperidyl)-5-cyclopentyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P518-0441
N~2~-(1-benzyl-4-piperidyl)-5-cyclopentyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-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

P518-0441

Molecular Formula

C24H31N3OS (C24 H31 N3 OS)

Compound Name

N~2~-(1-benzyl-4-piperidyl)-5-cyclopentyl-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide

IUPAC name

n/a

SMILES

O=C(c1cc(CN(C2)C3CCCC3)c2s1)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C24H31N3OS/c28-24(22-14-19-16-27(17-23(19)29-22)21-8-4-5-9-21)25-20-10-12-26(13-11-20)15-18-6-2-1-3-7-18/h1-3,6-7,14,20-21H,4-5,8-13,15-17H2,(H,25,28)

InChI Key

BNCNITURJKIBAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

0.059

Water Solubility, LogSw

-4.07

Polar Surface Area

32.549

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

11.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

P518-0441 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P518-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P518-0441?
Check Price and Availability of P518-0441, 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 P518-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P518-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P518-0441
  • 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 P518-0441 available by request