E511-0862 Screening compound: 3-[4-(propan-2-yl)phenyl]-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione

E511-0862 Screening compound: 3-[4-(propan-2-yl)phenyl]-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione
E511-0862 Screening compound: 3-[4-(propan-2-yl)phenyl]-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-0862
3-[4-(propan-2-yl)phenyl]-4-[4-(pyridin-2-yl)piperazin-1-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

E511-0862

Molecular Formula

C22H23N3O2 (C22 H23 N3 O2)

Compound Name

3-[4-(propan-2-yl)phenyl]-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-1,2-dione

IUPAC name

3-[4-(propan-2-yl)phenyl]-4-[4-(pyridin-2-yl)piperazin-1-yl]cyclobut-3-ene-12-dione

SMILES

CC(C)c(cc1)ccc1C(C(C1=O)=O)=C1N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C22H23N3O2/c1-15(2)16-6-8-17(9-7-16)19-20(22(27)21(19)26)25-13-11-24(12-14-25)18-5-3-4-10-23-18/h3-10,15H,11-14H2,1-2H3

InChI Key

CICZVSBEPAEDFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.610

Distribution Coefficient, logD

4.601

Water Solubility, LogSw

-4.27

Polar Surface Area

41.925

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

E511-0862 in Drug Discovery

Included in Screening Libraries

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

Purinergic Library (3321 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with E511-0862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-0862?
Check Price and Availability of E511-0862, 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 E511-0862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-0862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-0862
  • 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 E511-0862 available by request