E959-0920 Screening compound: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione

E959-0920 Screening compound: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione
E959-0920 Screening compound: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E959-0920
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-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

E959-0920

Molecular Formula

C26H28N2O2 (C26 H28 N2 O2)

Compound Name

3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobut-3-ene-1,2-dione

IUPAC name

3-[4-(23-dimethylphenyl)piperazin-1-yl]-4-(5678-tetrahydronaphthalen-2-yl)cyclobut-3-ene-12-dione

SMILES

Cc1cccc(N(CC2)CCN2C(C(C2=O)=O)=C2c2cc(CCCC3)c3cc2)c1C

InChI

InChI=1S/C26H28N2O2/c1-17-6-5-9-22(18(17)2)27-12-14-28(15-13-27)24-23(25(29)26(24)30)21-11-10-19-7-3-4-8-20(19)16-21/h5-6,9-11,16H,3-4,7-8,12-15H2,1-2H3

InChI Key

FLVZBDOWXYEUPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.080

Distribution Coefficient, logD

6.080

Water Solubility, LogSw

-5.38

Polar Surface Area

33.034

Acid Dissociation Constant (pKa)

25.48

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

E959-0920 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E959-0920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E959-0920?
Check Price and Availability of E959-0920, 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 E959-0920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E959-0920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E959-0920
  • 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 E959-0920 available by request