1165-0486 Screening compound: 4-nitrophenyl (4-nitrophenyl)methanesulfonate

1165-0486 Screening compound: 4-nitrophenyl (4-nitrophenyl)methanesulfonate
1165-0486 Screening compound: 4-nitrophenyl (4-nitrophenyl)methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1165-0486
4-nitrophenyl (4-nitrophenyl)methanesulfonate

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

1165-0486

Molecular Formula

C13H10N2O7S (C13 H10 N2 O7 S)

Compound Name

4-nitrophenyl (4-nitrophenyl)methanesulfonate

IUPAC name

4-nitrophenyl (4-nitrophenyl)methanesulfonate

SMILES

[O-][N+](c1ccc(CS(Oc(cc2)ccc2[N+]([O-])=O)(=O)=O)cc1)=O

InChI

InChI=1S/C13H10N2O7S/c16-14(17)11-3-1-10(2-4-11)9-23(20,21)22-13-7-5-12(6-8-13)15(18)19/h1-8H,9H2

InChI Key

KCKMPYMUEILKMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01364777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.3

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.564

Distribution Coefficient, logD

2.564

Water Solubility, LogSw

-2.69

Polar Surface Area

101.839

Acid Dissociation Constant (pKa)

20.10

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 1165-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1165-0486?
Check Price and Availability of 1165-0486, 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 1165-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1165-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1165-0486
  • 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 1165-0486 available by request