6027-0112 Screening compound: 2-chloro-3-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-1,4-dihydronaphthalene-1,4-dione

6027-0112 Screening compound: 2-chloro-3-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-1,4-dihydronaphthalene-1,4-dione
6027-0112 Screening compound: 2-chloro-3-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6027-0112
2-chloro-3-[4-(4-fluorobenzenesulfonyl)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

6027-0112

Molecular Formula

C20H16ClFN2O4S (C20 H16 ClFN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1C1=O)C(N(CC2)CCN2S(c(cc2)ccc2F)(=O)=O)=C1Cl

InChI

InChI=1S/C20H16ClFN2O4S/c21-17-18(20(26)16-4-2-1-3-15(16)19(17)25)23-9-11-24(12-10-23)29(27,28)14-7-5-13(22)6-8-14/h1-8H,9-12H2

InChI Key

FBYGDVRXCCZLLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03687090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.88

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

3.724

Distribution Coefficient, logD

3.724

Water Solubility, LogSw

-4.38

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

6027-0112 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 6027-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6027-0112?
Check Price and Availability of 6027-0112, 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 6027-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6027-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6027-0112
  • 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 6027-0112 available by request