4539-0022 Screening compound: 5-chloro-2-[(1E)-2-(3-nitrophenyl)ethenyl]quinolin-8-ol

4539-0022 Screening compound: 5-chloro-2-[(1E)-2-(3-nitrophenyl)ethenyl]quinolin-8-ol
4539-0022 Screening compound: 5-chloro-2-[(1E)-2-(3-nitrophenyl)ethenyl]quinolin-8-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4539-0022
5-chloro-2-[(1E)-2-(3-nitrophenyl)ethenyl]quinolin-8-ol

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

4539-0022

Molecular Formula

C17H11ClN2O3 (C17 H11 ClN2 O3)

Compound Name

5-chloro-2-[(1E)-2-(3-nitrophenyl)ethenyl]quinolin-8-ol

IUPAC name

5-chloro-2-[(1E)-2-(3-nitrophenyl)ethenyl]quinolin-8-ol

SMILES

[O-][N+](c1cccc(/C=C/c2ccc(c(Cl)ccc3O)c3n2)c1)=O

InChI

InChI=1S/C17H11ClN2O3/c18-15-8-9-16(21)17-14(15)7-6-12(19-17)5-4-11-2-1-3-13(10-11)20(22)23/h1-10,21H

InChI Key

HPPCZNUTFXPRMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04062410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.163

Distribution Coefficient, logD

5.138

Water Solubility, LogSw

-5.39

Polar Surface Area

59.493

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4539-0022 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4539-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4539-0022?
Check Price and Availability of 4539-0022, 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 4539-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4539-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4539-0022
  • 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 4539-0022 available by request