4908-0072 Screening compound: N-[(8-hydroxy-5-nitroquinolin-7-yl)(4-methylphenyl)methyl]butanamide

4908-0072 Screening compound: N-[(8-hydroxy-5-nitroquinolin-7-yl)(4-methylphenyl)methyl]butanamide
4908-0072 Screening compound: N-[(8-hydroxy-5-nitroquinolin-7-yl)(4-methylphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4908-0072
N-[(8-hydroxy-5-nitroquinolin-7-yl)(4-methylphenyl)methyl]butanamide

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

4908-0072

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

N-[(8-hydroxy-5-nitroquinolin-7-yl)(4-methylphenyl)methyl]butanamide

IUPAC name

N-[(8-hydroxy-5-nitroquinolin-7-yl)(4-methylphenyl)methyl]butanamide

SMILES

CCCC(NC(c1ccc(C)cc1)c(cc(c1cccnc11)[N+]([O-])=O)c1O)=O

InChI

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

InChI Key

FYMDOQCKYHECLJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14710259

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

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.936

Distribution Coefficient, logD

3.533

Water Solubility, LogSw

-3.86

Polar Surface Area

81.883

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

4908-0072 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 4908-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4908-0072?
Check Price and Availability of 4908-0072, 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 4908-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4908-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4908-0072
  • 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 4908-0072 available by request