8009-5877 Screening compound: 2,2-dimethyl-4,8-dioxo-5-phenyl-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

8009-5877 Screening compound: 2,2-dimethyl-4,8-dioxo-5-phenyl-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
8009-5877 Screening compound: 2,2-dimethyl-4,8-dioxo-5-phenyl-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 8009-5877
2,2-dimethyl-4,8-dioxo-5-phenyl-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

8009-5877

Molecular Formula

C27H25N3O2S (C27 H25 N3 O2 S)

Compound Name

2,2-dimethyl-4,8-dioxo-5-phenyl-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-phenyl-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(C2c3ccccc3)C#N)=C2C1=O

InChI

InChI=1S/C27H25N3O2S/c1-27(2)12-18-23(19(31)13-27)21(15-8-4-3-5-9-15)17(14-28)24-29-25(32)22-16-10-6-7-11-20(16)33-26(22)30(18)24/h3-5,8-9,21H,6-7,10-13H2,1-2H3,(H,29,32)/t21-/m0/s1

InChI Key

LKWPSZVVMVKKHJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01822043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.701

Distribution Coefficient, logD

4.700

Water Solubility, LogSw

-4.65

Polar Surface Area

56.610

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-7.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

8009-5877 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

C-Met Library (15277 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-5877 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8009-5877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5877
  • 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 8009-5877 available by request