4908-0080 Screening compound: N-[(2E)-1-(8-hydroxy-5-nitroquinolin-7-yl)-3-phenylprop-2-en-1-yl]butanamide

4908-0080 Screening compound: N-[(2E)-1-(8-hydroxy-5-nitroquinolin-7-yl)-3-phenylprop-2-en-1-yl]butanamide
4908-0080 Screening compound: N-[(2E)-1-(8-hydroxy-5-nitroquinolin-7-yl)-3-phenylprop-2-en-1-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4908-0080
N-[(2E)-1-(8-hydroxy-5-nitroquinolin-7-yl)-3-phenylprop-2-en-1-yl]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

4908-0080

Molecular Formula

C22H21N3O4 (C22 H21 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-2-7-20(26)24-18(12-11-15-8-4-3-5-9-15)17-14-19(25(28)29)16-10-6-13-23-21(16)22(17)27/h3-6,8-14,18,27H,2,7H2,1H3,(H,24,26)/t18-/m0/s1

InChI Key

DQLDOCNVNZDYAT-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04208941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

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

4.556

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-4.31

Polar Surface Area

82.162

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

4908-0080 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 4908-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4908-0080?
Check Price and Availability of 4908-0080, 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 4908-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4908-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4908-0080
  • 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 4908-0080 available by request