P025-0279 Screening compound: 1-(2-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)propan-1-one

P025-0279 Screening compound: 1-(2-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)propan-1-one
P025-0279 Screening compound: 1-(2-{[4-(2,5-dimethylphenyl)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 P025-0279
1-(2-{[4-(2,5-dimethylphenyl)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

P025-0279

Molecular Formula

C22H29N3O3S2 (C22 H29 N3 O3 S2)

Compound Name

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

IUPAC name

1-(2-{[4-(25-dimethylphenyl)piperazin-1-yl]sulfonyl}-4H5H6H7H-thieno[32-c]pyridin-5-yl)propan-1-one

SMILES

CCC(N(CC1)Cc2c1sc(S(N(CC1)CCN1c1c(C)ccc(C)c1)(=O)=O)c2)=O

InChI

InChI=1S/C22H29N3O3S2/c1-4-21(26)24-8-7-20-18(15-24)14-22(29-20)30(27,28)25-11-9-23(10-12-25)19-13-16(2)5-6-17(19)3/h5-6,13-14H,4,7-12,15H2,1-3H3

InChI Key

HXRJKLRCDWONQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.62

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

4.146

Distribution Coefficient, logD

4.146

Water Solubility, LogSw

-4.10

Polar Surface Area

51.981

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P025-0279 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

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

References: we are preparing a list of scientific research reports with P025-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P025-0279?
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What is the minimum amount of P025-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P025-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P025-0279
  • 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 P025-0279 available by request