P518-0304 Screening compound: 5-CYCLOPROPYL-N-[(3,4-DIMETHOXYPHENYL)METHYL]-4H,5H,6H-THIENO[2,3-C]PYRROLE-2-CARBOXAMIDE

P518-0304 Screening compound: 5-CYCLOPROPYL-N-[(3,4-DIMETHOXYPHENYL)METHYL]-4H,5H,6H-THIENO[2,3-C]PYRROLE-2-CARBOXAMIDE
P518-0304 Screening compound: 5-CYCLOPROPYL-N-[(3,4-DIMETHOXYPHENYL)METHYL]-4H,5H,6H-THIENO[2,3-C]PYRROLE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P518-0304
5-CYCLOPROPYL-N-[(3,4-DIMETHOXYPHENYL)METHYL]-4H,5H,6H-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

P518-0304

Molecular Formula

C19H22N2O3S (C19 H22 N2 O3 S)

Compound Name

5-CYCLOPROPYL-N-[(3,4-DIMETHOXYPHENYL)METHYL]-4H,5H,6H-THIENO[2,3-C]PYRROLE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

COc(ccc(CNC(c1cc(CN(C2)C3CC3)c2s1)=O)c1)c1OC

InChI

InChI=1S/C19H22N2O3S/c1-23-15-6-3-12(7-16(15)24-2)9-20-19(22)17-8-13-10-21(14-4-5-14)11-18(13)25-17/h3,6-8,14H,4-5,9-11H2,1-2H3,(H,20,22)

InChI Key

XGSNVLNIEUZDGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.749

Distribution Coefficient, logD

0.223

Water Solubility, LogSw

-3.25

Polar Surface Area

44.509

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

P518-0304 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P518-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P518-0304?
Check Price and Availability of P518-0304, 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 P518-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P518-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P518-0304
  • 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 P518-0304 available by request