8009-6580 Screening compound: 4-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]benzonitrile

8009-6580 Screening compound: 4-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]benzonitrile
8009-6580 Screening compound: 4-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6580
4-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]benzonitrile

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

8009-6580

Molecular Formula

C19H16N2O2 (C19 H16 N2 O2)

Compound Name

4-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]benzonitrile

IUPAC name

4-[35-dioxo-10-(propan-2-ylidene)-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl]benzonitrile

SMILES

CC(C)=C1C(C2C(N3c(cc4)ccc4C#N)=O)C=CC1C2C3=O

InChI

InChI=1S/C19H16N2O2/c1-10(2)15-13-7-8-14(15)17-16(13)18(22)21(19(17)23)12-5-3-11(9-20)4-6-12/h3-8,13-14,16-17H,1-2H3

InChI Key

NZIYZMMELVLAPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01802271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.881

Distribution Coefficient, logD

1.881

Water Solubility, LogSw

-2.22

Polar Surface Area

46.781

Acid Dissociation Constant (pKa)

15.57

Base Dissociation Constant (pKb)

-10.07

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

31.58

8009-6580 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Agro:
  • Agro
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8009-6580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6580?
Check Price and Availability of 8009-6580, 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 8009-6580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6580
  • 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 8009-6580 available by request