5075-0077 Screening compound: 2-chloro-3-[4-(ethanesulfonyl)piperazin-1-yl]-1,4-dihydronaphthalene-1,4-dione

5075-0077 Screening compound: 2-chloro-3-[4-(ethanesulfonyl)piperazin-1-yl]-1,4-dihydronaphthalene-1,4-dione
5075-0077 Screening compound: 2-chloro-3-[4-(ethanesulfonyl)piperazin-1-yl]-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5075-0077
2-chloro-3-[4-(ethanesulfonyl)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

5075-0077

Molecular Formula

C16H17ClN2O4S (C16 H17 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCS(N(CC1)CCN1C(C(c(cccc1)c1C1=O)=O)=C1Cl)(=O)=O

InChI

InChI=1S/C16H17ClN2O4S/c1-2-24(22,23)19-9-7-18(8-10-19)14-13(17)15(20)11-5-3-4-6-12(11)16(14)21/h3-6H,2,7-10H2,1H3

InChI Key

SAZSPZIDBMEGOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03270074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.84

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

2.330

Distribution Coefficient, logD

2.330

Water Solubility, LogSw

-3.25

Polar Surface Area

61.507

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

5075-0077 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 5075-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5075-0077?
Check Price and Availability of 5075-0077, 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 5075-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5075-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5075-0077
  • 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 5075-0077 available by request