8017-3499 Screening compound: 4-chloro-3,5-dinitro-1-benzenesulfonate

8017-3499 Screening compound: 4-chloro-3,5-dinitro-1-benzenesulfonate
8017-3499 Screening compound: 4-chloro-3,5-dinitro-1-benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3499
4-chloro-3,5-dinitro-1-benzenesulfonate

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

8017-3499

Molecular Formula

C6H2ClN2O7S (C6 H2 ClN2 O7 S)

Compound Name

4-chloro-3,5-dinitro-1-benzenesulfonate

IUPAC name

4-chloro-35-dinitrobenzene-1-sulfonate

SMILES

[O-][N+](c1cc(S([O-])(=O)=O)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C6H3ClN2O7S/c7-6-4(8(10)11)1-3(17(14,15)16)2-5(6)9(12)13/h1-2H,(H,14,15,16)/p-1

InChI Key

ALVPDCHBQRCKRQ-UHFFFAOYSA-M

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

K+

Molecular Weight

281.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.671

Distribution Coefficient, logD

-0.671

Water Solubility, LogSw

-2.40

Polar Surface Area

108.814

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 8017-3499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3499?
Check Price and Availability of 8017-3499, 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 8017-3499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3499
  • 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 8017-3499 available by request