P025-0685 Screening compound: 1-({5-cyclobutanecarbonyl-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl}sulfonyl)-4-phenylpiperazine

P025-0685 Screening compound: 1-({5-cyclobutanecarbonyl-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl}sulfonyl)-4-phenylpiperazine
P025-0685 Screening compound: 1-({5-cyclobutanecarbonyl-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl}sulfonyl)-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P025-0685
1-({5-cyclobutanecarbonyl-4H,5H,6H,7H-thieno[3,2-c]pyridin-2-yl}sulfonyl)-4-phenylpiperazine

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

P025-0685

Molecular Formula

C22H27N3O3S2 (C22 H27 N3 O3 S2)

Compound Name

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

IUPAC name

1-({5-cyclobutanecarbonyl-4H5H6H7H-thieno[32-c]pyridin-2-yl}sulfonyl)-4-phenylpiperazine

SMILES

O=C(C1CCC1)N(CC1)Cc2c1sc(S(N(CC1)CCN1c1ccccc1)(=O)=O)c2

InChI

InChI=1S/C22H27N3O3S2/c26-22(17-5-4-6-17)24-10-9-20-18(16-24)15-21(29-20)30(27,28)25-13-11-23(12-14-25)19-7-2-1-3-8-19/h1-3,7-8,15,17H,4-6,9-14,16H2

InChI Key

STFFQTWNDJMQKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559005

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

3.015

Distribution Coefficient, logD

3.015

Water Solubility, LogSw

-3.38

Polar Surface Area

53.061

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P025-0685 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P025-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P025-0685?
Check Price and Availability of P025-0685, 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 P025-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P025-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P025-0685
  • 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 P025-0685 available by request