4433-0035 Screening compound: 4-(2,4-dinitrobenzenesulfonyl)benzoic acid

4433-0035 Screening compound: 4-(2,4-dinitrobenzenesulfonyl)benzoic acid
4433-0035 Screening compound: 4-(2,4-dinitrobenzenesulfonyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4433-0035
4-(2,4-dinitrobenzenesulfonyl)benzoic acid

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

4433-0035

Molecular Formula

C13H8N2O8S (C13 H8 N2 O8 S)

Compound Name

4-(2,4-dinitrobenzenesulfonyl)benzoic acid

IUPAC name

4-(24-dinitrobenzenesulfonyl)benzoic acid

SMILES

[O-][N+](c(cc1)cc([N+]([O-])=O)c1S(c(cc1)ccc1C(O)=O)(=O)=O)=O

InChI

InChI=1S/C13H8N2O8S/c16-13(17)8-1-4-10(5-2-8)24(22,23)12-6-3-9(14(18)19)7-11(12)15(20)21/h1-7H,(H,16,17)

InChI Key

PFFDCOWCLVDNOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.28

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.813

Distribution Coefficient, logD

-0.245

Water Solubility, LogSw

-3.41

Polar Surface Area

124.609

Acid Dissociation Constant (pKa)

4.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4433-0035 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4433-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4433-0035?
Check Price and Availability of 4433-0035, 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 4433-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4433-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4433-0035
  • 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 4433-0035 available by request