5306-0042 Screening compound: 2-chloro-3-[4-(3,4-dichlorobenzenesulfonyl)piperazin-1-yl]-1,4-dihydronaphthalene-1,4-dione

5306-0042 Screening compound: 2-chloro-3-[4-(3,4-dichlorobenzenesulfonyl)piperazin-1-yl]-1,4-dihydronaphthalene-1,4-dione
5306-0042 Screening compound: 2-chloro-3-[4-(3,4-dichlorobenzenesulfonyl)piperazin-1-yl]-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5306-0042
2-chloro-3-[4-(3,4-dichlorobenzenesulfonyl)piperazin-1-yl]-1,4-dihydronaphthalene-1,4-dione

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

5306-0042

Molecular Formula

C20H15Cl3N2O4S (C20 H15 Cl3 N2 O4 S)

Compound Name

2-chloro-3-[4-(3,4-dichlorobenzenesulfonyl)piperazin-1-yl]-1,4-dihydronaphthalene-1,4-dione

IUPAC name

2-chloro-3-[4-(34-dichlorobenzenesulfonyl)piperazin-1-yl]-14-dihydronaphthalene-14-dione

SMILES

O=C(c(cccc1)c1C1=O)C(N(CC2)CCN2S(c(cc2)cc(Cl)c2Cl)(=O)=O)=C1Cl

InChI

InChI=1S/C20H15Cl3N2O4S/c21-15-6-5-12(11-16(15)22)30(28,29)25-9-7-24(8-10-25)18-17(23)19(26)13-3-1-2-4-14(13)20(18)27/h1-6,11H,7-10H2

InChI Key

BNKRFCONHHRHQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03306397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.77

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

4.935

Distribution Coefficient, logD

4.935

Water Solubility, LogSw

-5.03

Polar Surface Area

61.341

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 5306-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5306-0042?
Check Price and Availability of 5306-0042, 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 5306-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5306-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5306-0042
  • 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 5306-0042 available by request