P163-0902 Screening compound: 4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-carboxamide

P163-0902 Screening compound: 4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
P163-0902 Screening compound: 4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P163-0902
4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxo-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

P163-0902

Molecular Formula

C25H21N3O3S (C25 H21 N3 O3 S)

Compound Name

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

IUPAC name

4-benzyl-7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4H5H-thieno[32-b]pyridine-6-carboxamide

SMILES

OC(c(scc1)c1N1Cc2ccccc2)=C(C(NCCc2c[nH]c3c2cccc3)=O)C1=O

InChI

InChI=1S/C25H21N3O3S/c29-22-21(24(30)26-12-10-17-14-27-19-9-5-4-8-18(17)19)25(31)28(20-11-13-32-23(20)22)15-16-6-2-1-3-7-16/h1-9,11,13-14,27,29H,10,12,15H2,(H,26,30)

InChI Key

TZHOHNAHPUALJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.760

Distribution Coefficient, logD

-1.353

Water Solubility, LogSw

-4.01

Polar Surface Area

65.556

Acid Dissociation Constant (pKa)

2.29

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

P163-0902 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P163-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P163-0902?
Check Price and Availability of P163-0902, 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 P163-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P163-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P163-0902
  • 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 P163-0902 available by request