E786-0923 Screening compound: 3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione

E786-0923 Screening compound: 3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione
E786-0923 Screening compound: 3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-0923
3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-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

E786-0923

Molecular Formula

C24H23N3O4 (C24 H23 N3 O4)

Compound Name

3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)cyclobut-3-ene-1,2-dione

IUPAC name

3-[4-(24-dimethylphenyl)piperazin-1-yl]-4-(3-oxo-34-dihydro-2H-14-benzoxazin-7-yl)cyclobut-3-ene-12-dione

SMILES

Cc(cc1)cc(C)c1N(CC1)CCN1C(C(C1=O)=O)=C1c(cc1)cc(OC2)c1NC2=O

InChI

InChI=1S/C24H23N3O4/c1-14-3-6-18(15(2)11-14)26-7-9-27(10-8-26)22-21(23(29)24(22)30)16-4-5-17-19(12-16)31-13-20(28)25-17/h3-6,11-12H,7-10,13H2,1-2H3,(H,25,28)

InChI Key

WSKIMJJPIOLFCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.900

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-3.94

Polar Surface Area

66.383

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E786-0923 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Purinergic Library (3321 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
Targets:
  • Nuclear receptors
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with E786-0923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-0923?
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What is the minimum amount of E786-0923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-0923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-0923
  • 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 E786-0923 available by request