4908-0052 Screening compound: N-[(2E)-1-(8-hydroxy-5-nitroquinolin-7-yl)-3-phenylprop-2-en-1-yl]acetamide

4908-0052 Screening compound: N-[(2E)-1-(8-hydroxy-5-nitroquinolin-7-yl)-3-phenylprop-2-en-1-yl]acetamide
4908-0052 Screening compound: N-[(2E)-1-(8-hydroxy-5-nitroquinolin-7-yl)-3-phenylprop-2-en-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4908-0052
N-[(2E)-1-(8-hydroxy-5-nitroquinolin-7-yl)-3-phenylprop-2-en-1-yl]acetamide

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

4908-0052

Molecular Formula

C20H17N3O4 (C20 H17 N3 O4)

Compound Name

N-[(2E)-1-(8-hydroxy-5-nitroquinolin-7-yl)-3-phenylprop-2-en-1-yl]acetamide

IUPAC name

N-[(2E)-1-(8-hydroxy-5-nitroquinolin-7-yl)-3-phenylprop-2-en-1-yl]acetamide

SMILES

CC(NC(/C=C/c1ccccc1)c(cc(c1cccnc11)[N+]([O-])=O)c1O)=O

InChI

InChI=1S/C20H17N3O4/c1-13(24)22-17(10-9-14-6-3-2-4-7-14)16-12-18(23(26)27)15-8-5-11-21-19(15)20(16)25/h2-12,17,25H,1H3,(H,22,24)/t17-/m0/s1

InChI Key

XZEYWCXRLQDHJG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03707933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.547

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.81

Polar Surface Area

82.274

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

4908-0052 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 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 4908-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4908-0052?
Check Price and Availability of 4908-0052, 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 4908-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4908-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4908-0052
  • 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 4908-0052 available by request