P025-0489 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-cyclopropanecarbonyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonamide

P025-0489 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-cyclopropanecarbonyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonamide
P025-0489 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-cyclopropanecarbonyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P025-0489
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-cyclopropanecarbonyl-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

P025-0489

Molecular Formula

C19H20N2O5S2 (C19 H20 N2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CC1)N(CC1)Cc2c1sc(S(NCc(cc1)cc3c1OCO3)(=O)=O)c2

InChI

InChI=1S/C19H20N2O5S2/c22-19(13-2-3-13)21-6-5-17-14(10-21)8-18(27-17)28(23,24)20-9-12-1-4-15-16(7-12)26-11-25-15/h1,4,7-8,13,20H,2-3,5-6,9-11H2

InChI Key

NUBAWRCBFATMHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

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

2.884

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.47

Polar Surface Area

76.964

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

P025-0489 in Drug Discovery

Included in Screening Libraries

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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P025-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P025-0489?
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What is the minimum amount of P025-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P025-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P025-0489
  • 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 P025-0489 available by request