8009-0436 Screening compound: methyl 2-[2-amino-3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

8009-0436 Screening compound: methyl 2-[2-amino-3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-1-yl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
8009-0436 Screening compound: methyl 2-[2-amino-3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-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 8009-0436
methyl 2-[2-amino-3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-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

8009-0436

Molecular Formula

C30H33N3O4S (C30 H33 N3 O4 S)

Compound Name

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

IUPAC name

methyl 2-[2-amino-3-cyano-4-(4-methoxyphenyl)-77-dimethyl-5-oxo-145678-hexahydroquinolin-1-yl]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CC(C)(C1)CC(N(c2c(C(OC)=O)c(CCCCC3)c3s2)C(N)=C(C2c(cc3)ccc3OC)C#N)=C2C1=O

InChI

InChI=1S/C30H33N3O4S/c1-30(2)14-21-26(22(34)15-30)24(17-10-12-18(36-3)13-11-17)20(16-31)27(32)33(21)28-25(29(35)37-4)19-8-6-5-7-9-23(19)38-28/h10-13,24H,5-9,14-15,32H2,1-4H3/t24-/m0/s1

InChI Key

GTODKDGDKROYGW-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01460903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.68

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

5.197

Distribution Coefficient, logD

5.197

Water Solubility, LogSw

-5.14

Polar Surface Area

82.415

Acid Dissociation Constant (pKa)

18.04

Base Dissociation Constant (pKb)

-6.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.30

8009-0436 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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 8009-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0436?
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What is the minimum amount of 8009-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0436
  • 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 8009-0436 available by request