P518-0773 Screening compound: 5-cyclopentyl-N~2~-[3-(4-methylpiperidino)propyl]-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide

P518-0773 Screening compound: 5-cyclopentyl-N~2~-[3-(4-methylpiperidino)propyl]-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide
P518-0773 Screening compound: 5-cyclopentyl-N~2~-[3-(4-methylpiperidino)propyl]-5,6-dihydro-4H-thieno[2,3-c]pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P518-0773
5-cyclopentyl-N~2~-[3-(4-methylpiperidino)propyl]-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

P518-0773

Molecular Formula

C21H33N3OS (C21 H33 N3 OS)

Compound Name

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

IUPAC name

5-cyclopentyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4H5H6H-thieno[23-c]pyrrole-2-carboxamide

SMILES

CC1CCN(CCCNC(c2cc(CN(C3)C4CCCC4)c3s2)=O)CC1

InChI

InChI=1S/C21H33N3OS/c1-16-7-11-23(12-8-16)10-4-9-22-21(25)19-13-17-14-24(15-20(17)26-19)18-5-2-3-6-18/h13,16,18H,2-12,14-15H2,1H3,(H,22,25)

InChI Key

FHLXRGPGHQUDED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

-0.596

Water Solubility, LogSw

-3.72

Polar Surface Area

33.107

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

11.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.19

P518-0773 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P518-0773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P518-0773?
Check Price and Availability of P518-0773, 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 P518-0773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P518-0773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P518-0773
  • 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 P518-0773 available by request