8010-2836 Screening compound: 5,12-bis(3-hydroxyphenyl)-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetraone

8010-2836 Screening compound: 5,12-bis(3-hydroxyphenyl)-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetraone
8010-2836 Screening compound: 5,12-bis(3-hydroxyphenyl)-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2836
5,12-bis(3-hydroxyphenyl)-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetraone

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

8010-2836

Molecular Formula

C26H20N2O6 (C26 H20 N2 O6)

Compound Name

5,12-bis(3-hydroxyphenyl)-5,12-diazapentacyclo[7.5.2.0~2,8~.0~3,7~.0~10,14~]hexadec-15-ene-4,6,11,13-tetraone

IUPAC name

512-bis(3-hydroxyphenyl)-512-diazapentacyclo[7.5.2.0^{28}.0^{37}.0^{1014}]hexadec-15-ene-461113-tetrone

SMILES

Oc1cccc(N(C(C(C23)C4C3C(C3C(N5c6cc(O)ccc6)=O)C=CC2C3C5=O)=O)C4=O)c1

InChI

InChI=1S/C26H20N2O6/c29-13-5-1-3-11(9-13)27-23(31)19-15-7-8-16(20(19)24(27)32)18-17(15)21-22(18)26(34)28(25(21)33)12-4-2-6-14(30)10-12/h1-10,15-22,29-30H

InChI Key

QFYHQOVFUCVDIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.014

Distribution Coefficient, logD

0.982

Water Solubility, LogSw

-1.37

Polar Surface Area

93.120

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

-6.05

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

30.77

8010-2836 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8010-2836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2836?
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What is the minimum amount of 8010-2836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2836
  • 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 8010-2836 available by request