0804-0047 Screening compound: 2-methyl-5-nitrobenzene-1-sulfonic acid

0804-0047 Screening compound: 2-methyl-5-nitrobenzene-1-sulfonic acid
0804-0047 Screening compound: 2-methyl-5-nitrobenzene-1-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0804-0047
2-methyl-5-nitrobenzene-1-sulfonic 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

0804-0047

Molecular Formula

C7H7NO5S (C7 H7 NO5 S)

Compound Name

2-methyl-5-nitrobenzene-1-sulfonic acid

IUPAC name

2-methyl-5-nitrobenzene-1-sulfonic acid

SMILES

Cc(ccc([N+]([O-])=O)c1)c1S(O)(=O)=O

InChI

InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)

InChI Key

ZDTXQHVBLWYPHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00024914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.2

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.536

Distribution Coefficient, logD

-14.236

Water Solubility, LogSw

-1.83

Polar Surface Area

76.034

Acid Dissociation Constant (pKa)

-2.97

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 0804-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0804-0047?
Check Price and Availability of 0804-0047, 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 0804-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0804-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0804-0047
  • 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 0804-0047 available by request