8012-7866 Screening compound: 4-[4-(1,7-dimethyl-3,5,8-trioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl]-1,7-dimethyl-4-azatricyclo[5.2.1.0~2,6~]decane-3,5,8-trione

8012-7866 Screening compound: 4-[4-(1,7-dimethyl-3,5,8-trioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl]-1,7-dimethyl-4-azatricyclo[5.2.1.0~2,6~]decane-3,5,8-trione
8012-7866 Screening compound: 4-[4-(1,7-dimethyl-3,5,8-trioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl]-1,7-dimethyl-4-azatricyclo[5.2.1.0~2,6~]decane-3,5,8-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7866
4-[4-(1,7-dimethyl-3,5,8-trioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl]-1,7-dimethyl-4-azatricyclo[5.2.1.0~2,6~]decane-3,5,8-trione

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

8012-7866

Molecular Formula

C28H28N2O6 (C28 H28 N2 O6)

Compound Name

4-[4-(1,7-dimethyl-3,5,8-trioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl]-1,7-dimethyl-4-azatricyclo[5.2.1.0~2,6~]decane-3,5,8-trione

IUPAC name

4-(4-{17-dimethyl-358-trioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl}phenyl)-17-dimethyl-4-azatricyclo[5.2.1.0^{26}]decane-358-trione

SMILES

CC(CC1(C)C2C(N3c(cc4)ccc4N(C(C(C4C5(C)C6)C6(C)CC5=O)=O)C4=O)=O)(CC1=O)C2C3=O

InChI

InChI=1S/C28H28N2O6/c1-25-9-15(31)27(3,11-25)19-17(25)21(33)29(23(19)35)13-5-7-14(8-6-13)30-22(34)18-20(24(30)36)28(4)12-26(18,2)10-16(28)32/h5-8,17-20H,9-12H2,1-4H3

InChI Key

NBVDVLCIMKDBOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.521

Distribution Coefficient, logD

0.521

Water Solubility, LogSw

-1.80

Polar Surface Area

85.706

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

-6.59

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

57.10

8012-7866 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-7866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7866?
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What is the minimum amount of 8012-7866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7866
  • 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 8012-7866 available by request