8008-4901 Screening compound: methyl 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

8008-4901 Screening compound: methyl 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
8008-4901 Screening compound: methyl 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 8008-4901
methyl 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

8008-4901

Molecular Formula

C26H26N4O3S (C26 H26 N4 O3 S)

Compound Name

methyl 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

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

SMILES

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

InChI

InChI=1S/C26H26N4O3S/c1-33-26(32)22-16-8-3-2-4-11-20(16)34-25(22)30-18-9-5-10-19(31)23(18)21(17(13-27)24(30)28)15-7-6-12-29-14-15/h6-7,12,14,21H,2-5,8-11,28H2,1H3/t21-/m0/s1

InChI Key

VUNVOXCDNIHULH-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01305102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.510

Distribution Coefficient, logD

3.510

Water Solubility, LogSw

-3.90

Polar Surface Area

84.389

Acid Dissociation Constant (pKa)

18.16

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8008-4901 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 8008-4901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4901?
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What is the minimum amount of 8008-4901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4901
  • 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 8008-4901 available by request