8009-8097 Screening compound: 8-amino-4-oxo-5-phenyl-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinolin-6-yl cyanide

8009-8097 Screening compound: 8-amino-4-oxo-5-phenyl-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinolin-6-yl cyanide
8009-8097 Screening compound: 8-amino-4-oxo-5-phenyl-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinolin-6-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8097
8-amino-4-oxo-5-phenyl-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinolin-6-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

8009-8097

Molecular Formula

C26H24N4OS (C26 H24 N4 OS)

Compound Name

8-amino-4-oxo-5-phenyl-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinolin-6-yl cyanide

IUPAC name

13-amino-7-oxo-9-phenyl-22-thia-212-diazapentacyclo[12.8.0.0^{211}.0^{38}.0^{1521}]docosa-1(14)3(8)101215(21)-pentaene-10-carbonitrile

SMILES

NC(c1c(N2C(CCC3)=C(C4c5ccccc5)C3=O)sc3c1CCCCC3)=NC2=C4C#N

InChI

InChI=1S/C26H24N4OS/c27-14-17-21(15-8-3-1-4-9-15)23-18(11-7-12-19(23)31)30-25(17)29-24(28)22-16-10-5-2-6-13-20(16)32-26(22)30/h1,3-4,8-9,21H,2,5-7,10-13H2,(H2,28,29)/t21-/m0/s1

InChI Key

HONILTXLATVKTO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01820464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.358

Distribution Coefficient, logD

-3.702

Water Solubility, LogSw

-4.73

Polar Surface Area

61.369

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

15.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

8009-8097 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8009-8097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8097?
Check Price and Availability of 8009-8097, 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 8009-8097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8097
  • 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 8009-8097 available by request