P056-0827 Screening compound: N-[2-(azepan-1-yl)ethyl]-5-(4-methylbenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide

P056-0827 Screening compound: N-[2-(azepan-1-yl)ethyl]-5-(4-methylbenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide
P056-0827 Screening compound: N-[2-(azepan-1-yl)ethyl]-5-(4-methylbenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P056-0827
N-[2-(azepan-1-yl)ethyl]-5-(4-methylbenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide

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

P056-0827

Molecular Formula

C24H31N3O2S (C24 H31 N3 O2 S)

Compound Name

N-[2-(azepan-1-yl)ethyl]-5-(4-methylbenzoyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-5-(4-methylbenzoyl)-4H5H6H7H-thieno[32-c]pyridine-2-carboxamide

SMILES

Cc(cc1)ccc1C(N(CC1)Cc2c1sc(C(NCCN1CCCCCC1)=O)c2)=O

InChI

InChI=1S/C24H31N3O2S/c1-18-6-8-19(9-7-18)24(29)27-14-10-21-20(17-27)16-22(30-21)23(28)25-11-15-26-12-4-2-3-5-13-26/h6-9,16H,2-5,10-15,17H2,1H3,(H,25,28)

InChI Key

NQZWTDRDNXHWND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.704

Distribution Coefficient, logD

2.438

Water Solubility, LogSw

-3.76

Polar Surface Area

46.135

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P056-0827 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P056-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P056-0827?
Check Price and Availability of P056-0827, 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 P056-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P056-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P056-0827
  • 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 P056-0827 available by request