P056-0603 Screening compound: 1-azepanyl(5-benzoyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)methanone

P056-0603 Screening compound: 1-azepanyl(5-benzoyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)methanone
P056-0603 Screening compound: 1-azepanyl(5-benzoyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P056-0603
1-azepanyl(5-benzoyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)methanone

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

P056-0603

Molecular Formula

C21H24N2O2S (C21 H24 N2 O2 S)

Compound Name

1-azepanyl(5-benzoyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)methanone

IUPAC name

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

SMILES

O=C(c1cc(CN(CC2)C(c3ccccc3)=O)c2s1)N1CCCCCC1

InChI

InChI=1S/C21H24N2O2S/c24-20(16-8-4-3-5-9-16)23-13-10-18-17(15-23)14-19(26-18)21(25)22-11-6-1-2-7-12-22/h3-5,8-9,14H,1-2,6-7,10-13,15H2

InChI Key

KUYPFSSIPJEMEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.667

Distribution Coefficient, logD

3.667

Water Solubility, LogSw

-3.88

Polar Surface Area

34.546

Acid Dissociation Constant (pKa)

26.61

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

P056-0603 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 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 P056-0603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P056-0603?
Check Price and Availability of P056-0603, 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 P056-0603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P056-0603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P056-0603
  • 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 P056-0603 available by request