8009-0437 Screening compound: ethyl 2-[2-amino-3-cyano-7,7-dimethyl-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

8009-0437 Screening compound: ethyl 2-[2-amino-3-cyano-7,7-dimethyl-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
8009-0437 Screening compound: ethyl 2-[2-amino-3-cyano-7,7-dimethyl-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 8009-0437
ethyl 2-[2-amino-3-cyano-7,7-dimethyl-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

8009-0437

Molecular Formula

C29H32N4O3S (C29 H32 N4 O3 S)

Compound Name

ethyl 2-[2-amino-3-cyano-7,7-dimethyl-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-77-dimethyl-5-oxo-4-(pyridin-3-yl)-145678-hexahydroquinolin-1-yl]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

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

InChI

InChI=1S/C29H32N4O3S/c1-4-36-28(35)24-18-10-6-5-7-11-22(18)37-27(24)33-20-13-29(2,3)14-21(34)25(20)23(19(15-30)26(33)31)17-9-8-12-32-16-17/h8-9,12,16,23H,4-7,10-11,13-14,31H2,1-3H3/t23-/m0/s1

InChI Key

AMSLLWHBVZGQAZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01460904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.66

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

4.517

Distribution Coefficient, logD

4.517

Water Solubility, LogSw

-4.38

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

44.80

8009-0437 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0437?
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What is the minimum amount of 8009-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0437
  • 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 8009-0437 available by request