C799-0768 Screening compound: 1-(4-chloro-3-nitrobenzenesulfonyl)azocane

C799-0768 Screening compound: 1-(4-chloro-3-nitrobenzenesulfonyl)azocane
C799-0768 Screening compound: 1-(4-chloro-3-nitrobenzenesulfonyl)azocane alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0768
1-(4-chloro-3-nitrobenzenesulfonyl)azocane

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

C799-0768

Molecular Formula

C13H17ClN2O4S (C13 H17 ClN2 O4 S)

Compound Name

1-(4-chloro-3-nitrobenzenesulfonyl)azocane

IUPAC name

1-(4-chloro-3-nitrobenzenesulfonyl)azocane

SMILES

[O-][N+](c(cc(cc1)S(N2CCCCCCC2)(=O)=O)c1Cl)=O

InChI

InChI=1S/C13H17ClN2O4S/c14-12-7-6-11(10-13(12)16(17)18)21(19,20)15-8-4-2-1-3-5-9-15/h6-7,10H,1-5,8-9H2

InChI Key

DQLUBUWDRKHFHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13624275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.81

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-4.01

Polar Surface Area

65.361

Acid Dissociation Constant (pKa)

28.04

Base Dissociation Constant (pKb)

-5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with C799-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0768?
Check Price and Availability of C799-0768, 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 C799-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0768
  • 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 C799-0768 available by request