8004-7118 Screening compound: 2-nitrophenyl 4-methylbenzene-1-sulfonate

8004-7118 Screening compound: 2-nitrophenyl 4-methylbenzene-1-sulfonate
8004-7118 Screening compound: 2-nitrophenyl 4-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7118
2-nitrophenyl 4-methylbenzene-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

8004-7118

Molecular Formula

C13H11NO5S (C13 H11 NO5 S)

Compound Name

2-nitrophenyl 4-methylbenzene-1-sulfonate

IUPAC name

2-nitrophenyl 4-methylbenzene-1-sulfonate

SMILES

Cc(cc1)ccc1S(Oc(cccc1)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C13H11NO5S/c1-10-6-8-11(9-7-10)20(17,18)19-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3

InChI Key

QTBPIGIEYBYSPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00231231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.59

Polar Surface Area

69.167

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8004-7118 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-7118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7118?
Check Price and Availability of 8004-7118, 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 8004-7118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7118
  • 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 8004-7118 available by request