8009-0808 Screening compound: 15-cyanotetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

8009-0808 Screening compound: 15-cyanotetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
8009-0808 Screening compound: 15-cyanotetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0808
15-cyanotetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

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

8009-0808

Molecular Formula

C18H13NO2 (C18 H13 NO2)

Compound Name

15-cyanotetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

IUPAC name

15-cyanotetracyclo[6.6.2.0^{27}.0^{914}]hexadeca-24691113-hexaene-15-carboxylic acid

SMILES

N#CC(CC1c2c3cccc2)(C3c2c1cccc2)C(O)=O

InChI

InChI=1S/C18H13NO2/c19-10-18(17(20)21)9-15-11-5-1-3-7-13(11)16(18)14-8-4-2-6-12(14)15/h1-8,15-16H,9H2,(H,20,21)/t15?,16?,18-/m0/s1

InChI Key

KRSRIVVMHYJUFO-HTWSVDAQSA-N

MDL Number (MFCD)

MFCD01461109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.178

Distribution Coefficient, logD

-0.583

Water Solubility, LogSw

-3.12

Polar Surface Area

45.352

Acid Dissociation Constant (pKa)

3.64

Base Dissociation Constant (pKb)

-13.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8009-0808 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-0808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0808?
Check Price and Availability of 8009-0808, 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 8009-0808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0808
  • 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 8009-0808 available by request