P056-0683 Screening compound: 8-[5-(4-methylbenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

P056-0683 Screening compound: 8-[5-(4-methylbenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
P056-0683 Screening compound: 8-[5-(4-methylbenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound P056-0683
8-[5-(4-methylbenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

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

P056-0683

Molecular Formula

C23H26N2O4S (C23 H26 N2 O4 S)

Compound Name

8-[5-(4-methylbenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[5-(4-methylbenzoyl)-4H5H6H7H-thieno[32-c]pyridine-2-carbonyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

Cc(cc1)ccc1C(N(CC1)Cc2c1sc(C(N(CC1)CCC11OCCO1)=O)c2)=O

InChI

InChI=1S/C23H26N2O4S/c1-16-2-4-17(5-3-16)21(26)25-9-6-19-18(15-25)14-20(30-19)22(27)24-10-7-23(8-11-24)28-12-13-29-23/h2-5,14H,6-13,15H2,1H3

InChI Key

PGVZDJGIZUTRSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.762

Distribution Coefficient, logD

2.762

Water Solubility, LogSw

-3.03

Polar Surface Area

48.652

Acid Dissociation Constant (pKa)

26.61

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

P056-0683 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with P056-0683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P056-0683?
Check Price and Availability of P056-0683, 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 P056-0683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P056-0683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P056-0683
  • 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 P056-0683 available by request