8009-7811 Screening compound: 2,2-dimethyl-4,8-dioxo-5-(3-pyridyl)-1,3,4,5,7,8,9,10,11,12-decahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinolin-6-yl cyanide

8009-7811 Screening compound: 2,2-dimethyl-4,8-dioxo-5-(3-pyridyl)-1,3,4,5,7,8,9,10,11,12-decahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinolin-6-yl cyanide
8009-7811 Screening compound: 2,2-dimethyl-4,8-dioxo-5-(3-pyridyl)-1,3,4,5,7,8,9,10,11,12-decahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinolin-6-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7811
2,2-dimethyl-4,8-dioxo-5-(3-pyridyl)-1,3,4,5,7,8,9,10,11,12-decahydro-2H-[1]benzothieno[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

8009-7811

Molecular Formula

C26H24N4O2S (C26 H24 N4 O2 S)

Compound Name

2,2-dimethyl-4,8-dioxo-5-(3-pyridyl)-1,3,4,5,7,8,9,10,11,12-decahydro-2H-[1]benzothieno[3',2':5,6]pyrimido[1,2-a]quinolin-6-yl cyanide

IUPAC name

1919-dimethyl-1117-dioxo-15-(pyridin-3-yl)-3-thia-112-diazapentacyclo[11.8.0.0^{210}.0^{49}.0^{1621}]henicosa-2(10)4(9)1316(21)-tetraene-14-carbonitrile

SMILES

CC(C)(C1)CC(N(c(sc2c3CCCC2)c3C(N2)=O)C2=C(C2c3cnccc3)C#N)=C2C1=O

InChI

InChI=1S/C26H24N4O2S/c1-26(2)10-17-22(18(31)11-26)20(14-6-5-9-28-13-14)16(12-27)23-29-24(32)21-15-7-3-4-8-19(15)33-25(21)30(17)23/h5-6,9,13,20H,3-4,7-8,10-11H2,1-2H3,(H,29,32)/t20-/m0/s1

InChI Key

UIFSFZKRZBZMBE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01820268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.617

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-3.81

Polar Surface Area

66.128

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8009-7811 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8009-7811 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8009-7811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7811
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Delivery formats for 8009-7811
  • 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 8009-7811 available by request