8008-5565 Screening compound: ethyl 2-[2-amino-3-cyano-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinolin-1-yl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

8008-5565 Screening compound: ethyl 2-[2-amino-3-cyano-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinolin-1-yl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
8008-5565 Screening compound: ethyl 2-[2-amino-3-cyano-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinolin-1-yl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5565
ethyl 2-[2-amino-3-cyano-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinolin-1-yl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

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

8008-5565

Molecular Formula

C27H28N4O3S (C27 H28 N4 O3 S)

Compound Name

ethyl 2-[2-amino-3-cyano-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinolin-1-yl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-[2-amino-3-cyano-5-oxo-4-(pyridin-3-yl)-145678-hexahydroquinolin-1-yl]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(N(C(CCC2)=C(C3c4cnccc4)C2=O)C(N)=C3C#N)sc2c1CCCCC2)=O

InChI

InChI=1S/C27H28N4O3S/c1-2-34-27(33)23-17-9-4-3-5-12-21(17)35-26(23)31-19-10-6-11-20(32)24(19)22(18(14-28)25(31)29)16-8-7-13-30-15-16/h7-8,13,15,22H,2-6,9-12,29H2,1H3/t22-/m0/s1

InChI Key

KHAHKRPZBMGOGC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01305348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.892

Distribution Coefficient, logD

3.892

Water Solubility, LogSw

-4.13

Polar Surface Area

83.969

Acid Dissociation Constant (pKa)

18.16

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

8008-5565 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

C-Met Library (15277 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Kinases
  • Kinases
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8008-5565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5565?
Check Price and Availability of 8008-5565, 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 8008-5565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5565
  • 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 8008-5565 available by request