P163-0731 Screening compound: 7-hydroxy-5-oxo-N-[1-(pyridin-4-yl)ethyl]-4H,5H-thieno[3,2-b]pyridine-6-carboxamide

P163-0731 Screening compound: 7-hydroxy-5-oxo-N-[1-(pyridin-4-yl)ethyl]-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
P163-0731 Screening compound: 7-hydroxy-5-oxo-N-[1-(pyridin-4-yl)ethyl]-4H,5H-thieno[3,2-b]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P163-0731
7-hydroxy-5-oxo-N-[1-(pyridin-4-yl)ethyl]-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

P163-0731

Molecular Formula

C15H13N3O3S (C15 H13 N3 O3 S)

Compound Name

7-hydroxy-5-oxo-N-[1-(pyridin-4-yl)ethyl]-4H,5H-thieno[3,2-b]pyridine-6-carboxamide

IUPAC name

7-hydroxy-5-oxo-N-[1-(pyridin-4-yl)ethyl]-4H5H-thieno[32-b]pyridine-6-carboxamide

SMILES

CC(c1ccncc1)NC(C(C(Nc1c2scc1)=O)=C2O)=O

InChI

InChI=1S/C15H13N3O3S/c1-8(9-2-5-16-6-3-9)17-14(20)11-12(19)13-10(4-7-22-13)18-15(11)21/h2-8H,1H3,(H,17,20)(H2,18,19,21)/t8-/m0/s1

InChI Key

FLSMVDDLUYXAMY-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD22596041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.669

Distribution Coefficient, logD

-4.236

Water Solubility, LogSw

-1.83

Polar Surface Area

74.210

Acid Dissociation Constant (pKa)

2.49

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

P163-0731 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P163-0731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P163-0731?
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What is the minimum amount of P163-0731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P163-0731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P163-0731
  • 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 P163-0731 available by request