3460-0011 Screening compound: N-[(8-hydroxyquinolin-7-yl)(3-nitrophenyl)methyl]pentanamide

3460-0011 Screening compound: N-[(8-hydroxyquinolin-7-yl)(3-nitrophenyl)methyl]pentanamide
3460-0011 Screening compound: N-[(8-hydroxyquinolin-7-yl)(3-nitrophenyl)methyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3460-0011
N-[(8-hydroxyquinolin-7-yl)(3-nitrophenyl)methyl]pentanamide

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

3460-0011

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

N-[(8-hydroxyquinolin-7-yl)(3-nitrophenyl)methyl]pentanamide

IUPAC name

N-[(8-hydroxyquinolin-7-yl)(3-nitrophenyl)methyl]pentanamide

SMILES

CCCCC(NC(c1cccc([N+]([O-])=O)c1)c(ccc1cccnc11)c1O)=O

InChI

InChI=1S/C21H21N3O4/c1-2-3-9-18(25)23-19(15-6-4-8-16(13-15)24(27)28)17-11-10-14-7-5-12-22-20(14)21(17)26/h4-8,10-13,19,26H,2-3,9H2,1H3,(H,23,25)/t19-/m0/s1

InChI Key

IKZCVITWOLNCTJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02045685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-3.65

Polar Surface Area

82.184

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

3460-0011 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Human Phosphatases Annotated Library (206 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3460-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3460-0011?
Check Price and Availability of 3460-0011, 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 3460-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3460-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3460-0011
  • 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 3460-0011 available by request