3039-0070 Screening compound: 2-[(4-methylpiperazin-1-yl)sulfonyl]-9,10-dihydroanthracene-9,10-dione

3039-0070 Screening compound: 2-[(4-methylpiperazin-1-yl)sulfonyl]-9,10-dihydroanthracene-9,10-dione
3039-0070 Screening compound: 2-[(4-methylpiperazin-1-yl)sulfonyl]-9,10-dihydroanthracene-9,10-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3039-0070
2-[(4-methylpiperazin-1-yl)sulfonyl]-9,10-dihydroanthracene-9,10-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

3039-0070

Molecular Formula

C19H18N2O4S (C19 H18 N2 O4 S)

Compound Name

2-[(4-methylpiperazin-1-yl)sulfonyl]-9,10-dihydroanthracene-9,10-dione

IUPAC name

2-[(4-methylpiperazin-1-yl)sulfonyl]-910-dihydroanthracene-910-dione

SMILES

CN(CC1)CCN1S(c(cc1)cc(C(c2c3cccc2)=O)c1C3=O)(=O)=O

InChI

InChI=1S/C19H18N2O4S/c1-20-8-10-21(11-9-20)26(24,25)13-6-7-16-17(12-13)19(23)15-5-3-2-4-14(15)18(16)22/h2-7,12H,8-11H2,1H3

InChI Key

KTIVOUXYYCRAQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00589379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.640

Distribution Coefficient, logD

2.577

Water Solubility, LogSw

-3.42

Polar Surface Area

61.368

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

6.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

3039-0070 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3039-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3039-0070?
Check Price and Availability of 3039-0070, 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 3039-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3039-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3039-0070
  • 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 3039-0070 available by request