P056-0552 Screening compound: 5-benzoyl-N-[(3,5-difluorophenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide

P056-0552 Screening compound: 5-benzoyl-N-[(3,5-difluorophenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide
P056-0552 Screening compound: 5-benzoyl-N-[(3,5-difluorophenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P056-0552
5-benzoyl-N-[(3,5-difluorophenyl)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

P056-0552

Molecular Formula

C22H18F2N2O2S (C22 H18 F2 N2 O2 S)

Compound Name

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

IUPAC name

5-benzoyl-N-[(35-difluorophenyl)methyl]-4H5H6H7H-thieno[32-c]pyridine-2-carboxamide

SMILES

O=C(c1cc(CN(CC2)C(c3ccccc3)=O)c2s1)NCc1cc(F)cc(F)c1

InChI

InChI=1S/C22H18F2N2O2S/c23-17-8-14(9-18(24)11-17)12-25-21(27)20-10-16-13-26(7-6-19(16)29-20)22(28)15-4-2-1-3-5-15/h1-5,8-11H,6-7,12-13H2,(H,25,27)

InChI Key

NLYJQECKGRFMLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.033

Distribution Coefficient, logD

4.033

Water Solubility, LogSw

-4.13

Polar Surface Area

41.980

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P056-0552 in Drug Discovery

Included in Screening Libraries

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 P056-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P056-0552?
Check Price and Availability of P056-0552, 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 P056-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P056-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P056-0552
  • 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 P056-0552 available by request