P056-0604 Screening compound: 1-{5-benzoyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbonyl}-4-cyclohexylpiperazine

P056-0604 Screening compound: 1-{5-benzoyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbonyl}-4-cyclohexylpiperazine
P056-0604 Screening compound: 1-{5-benzoyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbonyl}-4-cyclohexylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P056-0604
1-{5-benzoyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbonyl}-4-cyclohexylpiperazine

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

P056-0604

Molecular Formula

C25H31N3O2S (C25 H31 N3 O2 S)

Compound Name

1-{5-benzoyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbonyl}-4-cyclohexylpiperazine

IUPAC name

1-{5-benzoyl-4H5H6H7H-thieno[32-c]pyridine-2-carbonyl}-4-cyclohexylpiperazine

SMILES

O=C(c1cc(CN(CC2)C(c3ccccc3)=O)c2s1)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C25H31N3O2S/c29-24(19-7-3-1-4-8-19)28-12-11-22-20(18-28)17-23(31-22)25(30)27-15-13-26(14-16-27)21-9-5-2-6-10-21/h1,3-4,7-8,17,21H,2,5-6,9-16,18H2

InChI Key

RMWPIJKKFZPUDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.829

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-3.92

Polar Surface Area

37.309

Acid Dissociation Constant (pKa)

26.61

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

P056-0604 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P056-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P056-0604?
Check Price and Availability of P056-0604, 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 P056-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P056-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P056-0604
  • 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 P056-0604 available by request