P025-0580 Screening compound: 1-({5-cyclopropanecarbonyl-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl}sulfonyl)-4-(3-methylphenyl)piperazine

P025-0580 Screening compound: 1-({5-cyclopropanecarbonyl-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl}sulfonyl)-4-(3-methylphenyl)piperazine
P025-0580 Screening compound: 1-({5-cyclopropanecarbonyl-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl}sulfonyl)-4-(3-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P025-0580
1-({5-cyclopropanecarbonyl-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl}sulfonyl)-4-(3-methylphenyl)piperazine

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

P025-0580

Molecular Formula

C22H27N3O3S2 (C22 H27 N3 O3 S2)

Compound Name

1-({5-cyclopropanecarbonyl-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl}sulfonyl)-4-(3-methylphenyl)piperazine

IUPAC name

1-({5-cyclopropanecarbonyl-4H5H6H7H-thieno[32-c]pyridin-2-yl}sulfonyl)-4-(3-methylphenyl)piperazine

SMILES

Cc1cccc(N(CC2)CCN2S(c2cc(CN(CC3)C(C4CC4)=O)c3s2)(=O)=O)c1

InChI

InChI=1S/C22H27N3O3S2/c1-16-3-2-4-19(13-16)23-9-11-25(12-10-23)30(27,28)21-14-18-15-24(8-7-20(18)29-21)22(26)17-5-6-17/h2-4,13-14,17H,5-12,15H2,1H3

InChI Key

QNLDTESCASWVON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.583

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-3.66

Polar Surface Area

53.061

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P025-0580 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 P025-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P025-0580?
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What is the minimum amount of P025-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P025-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P025-0580
  • 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 P025-0580 available by request