5275-0011 Screening compound: N-[(8-hydroxyquinolin-7-yl)(thiophen-2-yl)methyl]-3-phenylpropanamide

5275-0011 Screening compound: N-[(8-hydroxyquinolin-7-yl)(thiophen-2-yl)methyl]-3-phenylpropanamide
5275-0011 Screening compound: N-[(8-hydroxyquinolin-7-yl)(thiophen-2-yl)methyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5275-0011
N-[(8-hydroxyquinolin-7-yl)(thiophen-2-yl)methyl]-3-phenylpropanamide

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

5275-0011

Molecular Formula

C23H20N2O2S (C23 H20 N2 O2 S)

Compound Name

N-[(8-hydroxyquinolin-7-yl)(thiophen-2-yl)methyl]-3-phenylpropanamide

IUPAC name

N-[(8-hydroxyquinolin-7-yl)(thiophen-2-yl)methyl]-3-phenylpropanamide

SMILES

Oc1c(C(c2cccs2)NC(CCc2ccccc2)=O)ccc2cccnc12

InChI

InChI=1S/C23H20N2O2S/c26-20(13-10-16-6-2-1-3-7-16)25-22(19-9-5-15-28-19)18-12-11-17-8-4-14-24-21(17)23(18)27/h1-9,11-12,14-15,22,27H,10,13H2,(H,25,26)/t22-/m1/s1

InChI Key

WFKOFHFTIBUSFS-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD02732921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.382

Distribution Coefficient, logD

4.381

Water Solubility, LogSw

-4.13

Polar Surface Area

49.550

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

5275-0011 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5275-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5275-0011?
Check Price and Availability of 5275-0011, 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 5275-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5275-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5275-0011
  • 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 5275-0011 available by request