0584-0149 Screening compound: 4-(quinoxalin-2-yl)phenyl 2-nitrobenzene-1-sulfonate

0584-0149 Screening compound: 4-(quinoxalin-2-yl)phenyl 2-nitrobenzene-1-sulfonate
0584-0149 Screening compound: 4-(quinoxalin-2-yl)phenyl 2-nitrobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0584-0149
4-(quinoxalin-2-yl)phenyl 2-nitrobenzene-1-sulfonate

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

0584-0149

Molecular Formula

C20H13N3O5S (C20 H13 N3 O5 S)

Compound Name

4-(quinoxalin-2-yl)phenyl 2-nitrobenzene-1-sulfonate

IUPAC name

4-(quinoxalin-2-yl)phenyl 2-nitrobenzene-1-sulfonate

SMILES

[O-][N+](c(cccc1)c1S(Oc(cc1)ccc1-c1nc2ccccc2nc1)(=O)=O)=O

InChI

InChI=1S/C20H13N3O5S/c24-23(25)19-7-3-4-8-20(19)29(26,27)28-15-11-9-14(10-12-15)18-13-21-16-5-1-2-6-17(16)22-18/h1-13H

InChI Key

VKMMXBNPZGLPQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00339906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.367

Distribution Coefficient, logD

4.367

Water Solubility, LogSw

-4.54

Polar Surface Area

86.264

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0584-0149 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0584-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0584-0149?
Check Price and Availability of 0584-0149, 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 0584-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0584-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0584-0149
  • 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 0584-0149 available by request