4908-0087 Screening compound: N-[(3,4-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide

4908-0087 Screening compound: N-[(3,4-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide
4908-0087 Screening compound: N-[(3,4-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4908-0087
N-[(3,4-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)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

4908-0087

Molecular Formula

C23H25N3O6 (C23 H25 N3 O6)

Compound Name

N-[(3,4-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide

IUPAC name

N-[(34-dimethoxyphenyl)(8-hydroxy-5-nitroquinolin-7-yl)methyl]pentanamide

SMILES

CCCCC(NC(c(cc1)cc(OC)c1OC)c(cc(c1cccnc11)[N+]([O-])=O)c1O)=O

InChI

InChI=1S/C23H25N3O6/c1-4-5-8-20(27)25-21(14-9-10-18(31-2)19(12-14)32-3)16-13-17(26(29)30)15-7-6-11-24-22(15)23(16)28/h6-7,9-13,21,28H,4-5,8H2,1-3H3,(H,25,27)/t21-/m0/s1

InChI Key

WTQHTBSVJVIQLZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03708062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.607

Distribution Coefficient, logD

3.204

Water Solubility, LogSw

-3.80

Polar Surface Area

97.144

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

4908-0087 in Drug Discovery

Included in Screening Libraries

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

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 4908-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4908-0087?
Check Price and Availability of 4908-0087, 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 4908-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4908-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4908-0087
  • 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 4908-0087 available by request