P025-0274 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-propanoyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonamide

P025-0274 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-propanoyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonamide
P025-0274 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-propanoyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P025-0274
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-propanoyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonamide

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

P025-0274

Molecular Formula

C18H20N2O5S2 (C18 H20 N2 O5 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-propanoyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-propanoyl-4H5H6H7H-thieno[32-c]pyridine-2-sulfonamide

SMILES

CCC(N(CC1)Cc2c1sc(S(NCc(cc1)cc3c1OCO3)(=O)=O)c2)=O

InChI

InChI=1S/C18H20N2O5S2/c1-2-17(21)20-6-5-16-13(10-20)8-18(26-16)27(22,23)19-9-12-3-4-14-15(7-12)25-11-24-14/h3-4,7-8,19H,2,5-6,9-11H2,1H3

InChI Key

IYHALSFBBFCZGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.732

Distribution Coefficient, logD

2.731

Water Solubility, LogSw

-3.30

Polar Surface Area

76.185

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

P025-0274 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 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

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

References: we are preparing a list of scientific research reports with P025-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P025-0274?
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What is the minimum amount of P025-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P025-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P025-0274
  • 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 P025-0274 available by request