0091-0172 Screening compound: 4-nitrophenyl 3-[(4-nitrophenoxy)sulfonyl]benzoate

0091-0172 Screening compound: 4-nitrophenyl 3-[(4-nitrophenoxy)sulfonyl]benzoate
0091-0172 Screening compound: 4-nitrophenyl 3-[(4-nitrophenoxy)sulfonyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0091-0172
4-nitrophenyl 3-[(4-nitrophenoxy)sulfonyl]benzoate

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

0091-0172

Molecular Formula

C19H12N2O9S (C19 H12 N2 O9 S)

Compound Name

4-nitrophenyl 3-[(4-nitrophenoxy)sulfonyl]benzoate

IUPAC name

4-nitrophenyl 3-[(4-nitrophenoxy)sulfonyl]benzoate

SMILES

[O-][N+](c(cc1)ccc1OC(c1cccc(S(Oc(cc2)ccc2[N+]([O-])=O)(=O)=O)c1)=O)=O

InChI

InChI=1S/C19H12N2O9S/c22-19(29-16-8-4-14(5-9-16)20(23)24)13-2-1-3-18(12-13)31(27,28)30-17-10-6-15(7-11-17)21(25)26/h1-12H

InChI Key

COCNECRQKDKZLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.38

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.883

Water Solubility, LogSw

-4.18

Polar Surface Area

123.141

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0091-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0091-0172?
Check Price and Availability of 0091-0172, 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 0091-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0091-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0091-0172
  • 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 0091-0172 available by request