8009-9007 Screening compound: 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinolin-6-yl cyanide

8009-9007 Screening compound: 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinolin-6-yl cyanide
8009-9007 Screening compound: 2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-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 8009-9007
2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-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

8009-9007

Molecular Formula

C29H29N3O2S (C29 H29 N3 O2 S)

Compound Name

2,2-dimethyl-5-(2-methylphenyl)-4,8-dioxo-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinolin-6-yl cyanide

IUPAC name

55-dimethyl-9-(2-methylphenyl)-713-dioxo-22-thia-212-diazapentacyclo[12.8.0.0^{211}.0^{38}.0^{1521}]docosa-1(14)3(8)1015(21)-tetraene-10-carbonitrile

SMILES

CC(C)(C1)CC(N(c(sc2c3CCCCC2)c3C(N2)=O)C2=C(C2c3c(C)cccc3)C#N)=C2C1=O

InChI

InChI=1S/C29H29N3O2S/c1-16-9-7-8-10-17(16)23-19(15-30)26-31-27(34)24-18-11-5-4-6-12-22(18)35-28(24)32(26)20-13-29(2,3)14-21(33)25(20)23/h7-10,23H,4-6,11-14H2,1-3H3,(H,31,34)/t23-/m0/s1

InChI Key

UDYTYKJWMGYDSI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01821009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

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

5.792

Distribution Coefficient, logD

5.792

Water Solubility, LogSw

-5.42

Polar Surface Area

56.941

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-7.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.40

8009-9007 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

C-Met Library (15277 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8009-9007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9007?
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What is the minimum amount of 8009-9007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9007
  • 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 8009-9007 available by request