8011-0808 Screening compound: 7,7-dicyano-9-imino-12-(4-methoxyphenyl)-10,11-dioxatricyclo[6.2.2.0~1,6~]dodec-8-yl cyanide

8011-0808 Screening compound: 7,7-dicyano-9-imino-12-(4-methoxyphenyl)-10,11-dioxatricyclo[6.2.2.0~1,6~]dodec-8-yl cyanide
8011-0808 Screening compound: 7,7-dicyano-9-imino-12-(4-methoxyphenyl)-10,11-dioxatricyclo[6.2.2.0~1,6~]dodec-8-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0808
7,7-dicyano-9-imino-12-(4-methoxyphenyl)-10,11-dioxatricyclo[6.2.2.0~1,6~]dodec-8-yl cyanide

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

8011-0808

Molecular Formula

C20H18N4O3 (C20 H18 N4 O3)

Compound Name

7,7-dicyano-9-imino-12-(4-methoxyphenyl)-10,11-dioxatricyclo[6.2.2.0~1,6~]dodec-8-yl cyanide

IUPAC name

9-imino-12-(4-methoxyphenyl)-1011-dioxatricyclo[6.2.2.0^{16}]dodecane-778-tricarbonitrile

SMILES

COc1ccc(C(C2(C(C3CCCC4)(C#N)C#N)C#N)OC34OC2=N)cc1

InChI

InChI=1S/C20H18N4O3/c1-25-14-7-5-13(6-8-14)16-19(12-23)17(24)27-20(26-16)9-3-2-4-15(20)18(19,10-21)11-22/h5-8,15-16,24H,2-4,9H2,1H3

InChI Key

ZPXPMXLZTDRJBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01955668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.768

Distribution Coefficient, logD

2.768

Water Solubility, LogSw

-3.13

Polar Surface Area

91.192

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

50.00

8011-0808 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8011-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0808?
Check Price and Availability of 8011-0808, 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 8011-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0808
  • 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 8011-0808 available by request