P163-0891 Screening compound: 4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)-4H,5H-thieno[3,2-b]pyridine-6-carboxamide

P163-0891 Screening compound: 4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
P163-0891 Screening compound: 4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)-4H,5H-thieno[3,2-b]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P163-0891
4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)-4H,5H-thieno[3,2-b]pyridine-6-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

P163-0891

Molecular Formula

C23H20N2O3S (C23 H20 N2 O3 S)

Compound Name

4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)-4H,5H-thieno[3,2-b]pyridine-6-carboxamide

IUPAC name

4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)-4H5H-thieno[32-b]pyridine-6-carboxamide

SMILES

OC(c(scc1)c1N1Cc2ccccc2)=C(C(NCCc2ccccc2)=O)C1=O

InChI

InChI=1S/C23H20N2O3S/c26-20-19(22(27)24-13-11-16-7-3-1-4-8-16)23(28)25(18-12-14-29-21(18)20)15-17-9-5-2-6-10-17/h1-10,12,14,26H,11,13,15H2,(H,24,27)

InChI Key

AZIDNVRJPPDAJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.408

Distribution Coefficient, logD

-1.705

Water Solubility, LogSw

-3.57

Polar Surface Area

55.685

Acid Dissociation Constant (pKa)

2.29

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

P163-0891 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P163-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P163-0891?
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What is the minimum amount of P163-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P163-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P163-0891
  • 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 P163-0891 available by request