0438-0335 Screening compound: 1-methanesulfonyl-4-nitrobenzene

0438-0335 Screening compound: 1-methanesulfonyl-4-nitrobenzene
0438-0335 Screening compound: 1-methanesulfonyl-4-nitrobenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0438-0335
1-methanesulfonyl-4-nitrobenzene

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

0438-0335

Molecular Formula

C7H7NO4S (C7 H7 NO4 S)

Compound Name

1-methanesulfonyl-4-nitrobenzene

IUPAC name

1-methanesulfonyl-4-nitrobenzene

SMILES

CS(c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C7H7NO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3

InChI Key

XONGBDXIFQIQBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00047803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

201.2

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.932

Distribution Coefficient, logD

0.932

Water Solubility, LogSw

-2.21

Polar Surface Area

63.369

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

0438-0335 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0438-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0438-0335?
Check Price and Availability of 0438-0335, 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 0438-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0438-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0438-0335
  • 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 0438-0335 available by request