P025-0378 Screening compound: 1-(2-{[4-(4-methylphenyl)piperazin-1-yl]sulfonyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)propan-1-one

P025-0378 Screening compound: 1-(2-{[4-(4-methylphenyl)piperazin-1-yl]sulfonyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)propan-1-one
P025-0378 Screening compound: 1-(2-{[4-(4-methylphenyl)piperazin-1-yl]sulfonyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P025-0378
1-(2-{[4-(4-methylphenyl)piperazin-1-yl]sulfonyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)propan-1-one

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

P025-0378

Molecular Formula

C21H27N3O3S2 (C21 H27 N3 O3 S2)

Compound Name

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

IUPAC name

1-(2-{[4-(4-methylphenyl)piperazin-1-yl]sulfonyl}-4H5H6H7H-thieno[32-c]pyridin-5-yl)propan-1-one

SMILES

CCC(N(CC1)Cc2c1sc(S(N(CC1)CCN1c1ccc(C)cc1)(=O)=O)c2)=O

InChI

InChI=1S/C21H27N3O3S2/c1-3-20(25)23-9-8-19-17(15-23)14-21(28-19)29(26,27)24-12-10-22(11-13-24)18-6-4-16(2)5-7-18/h4-7,14H,3,8-13,15H2,1-2H3

InChI Key

XBJSQFWHLSPYPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.6

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

3.533

Distribution Coefficient, logD

3.533

Water Solubility, LogSw

-3.62

Polar Surface Area

52.282

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

P025-0378 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P025-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P025-0378?
Check Price and Availability of P025-0378, 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 P025-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P025-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P025-0378
  • 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 P025-0378 available by request