P056-1045 Screening compound: 5-(4-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide

P056-1045 Screening compound: 5-(4-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide
P056-1045 Screening compound: 5-(4-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P056-1045
5-(4-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]-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

P056-1045

Molecular Formula

C23H21ClN2O3S (C23 H21 ClN2 O3 S)

Compound Name

5-(4-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide

IUPAC name

5-(4-chlorobenzoyl)-N-[(4-methoxyphenyl)methyl]-4H5H6H7H-thieno[32-c]pyridine-2-carboxamide

SMILES

COc1ccc(CNC(c2cc(CN(CC3)C(c(cc4)ccc4Cl)=O)c3s2)=O)cc1

InChI

InChI=1S/C23H21ClN2O3S/c1-29-19-8-2-15(3-9-19)13-25-22(27)21-12-17-14-26(11-10-20(17)30-21)23(28)16-4-6-18(24)7-5-16/h2-9,12H,10-11,13-14H2,1H3,(H,25,27)

InChI Key

MDBWVBYLUULNKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.95

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

4.182

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-4.62

Polar Surface Area

49.524

Acid Dissociation Constant (pKa)

13.96

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

P056-1045 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 P056-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P056-1045?
Check Price and Availability of P056-1045, 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 P056-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P056-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P056-1045
  • 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 P056-1045 available by request