8010-0536 Screening compound: 5-(2-chlorophenyl)-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

8010-0536 Screening compound: 5-(2-chlorophenyl)-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
8010-0536 Screening compound: 5-(2-chlorophenyl)-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 8010-0536
5-(2-chlorophenyl)-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

8010-0536

Molecular Formula

C26H22ClN3O2S (C26 H22 ClN3 O2 S)

Compound Name

5-(2-chlorophenyl)-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

9-(2-chlorophenyl)-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

N#CC(C1c(cccc2)c2Cl)=C(NC(c2c3sc4c2CCCCC4)=O)N3C(CCC2)=C1C2=O

InChI

InChI=1S/C26H22ClN3O2S/c27-17-9-5-4-7-14(17)21-16(13-28)24-29-25(32)22-15-8-2-1-3-12-20(15)33-26(22)30(24)18-10-6-11-19(31)23(18)21/h4-5,7,9,21H,1-3,6,8,10-12H2,(H,29,32)/t21-/m1/s1

InChI Key

SFNNVRMYOKKVAX-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01925882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476

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

5.379

Distribution Coefficient, logD

5.379

Water Solubility, LogSw

-6.18

Polar Surface Area

56.941

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-7.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

8010-0536 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

C-Met Library (15277 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8010-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0536?
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What is the minimum amount of 8010-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0536
  • 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 8010-0536 available by request