8008-6731 Screening compound: 2-amino-1-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8008-6731 Screening compound: 2-amino-1-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8008-6731 Screening compound: 2-amino-1-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6731
2-amino-1-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

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

8008-6731

Molecular Formula

C26H26N4OS2 (C26 H26 N4 OS2)

Compound Name

2-amino-1-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-1-{3-cyano-4H5H6H7H8H-cyclohepta[b]thiophen-2-yl}-77-dimethyl-5-oxo-4-(thiophen-2-yl)-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)(C1)CC(N(c(sc2c3CCCCC2)c3C#N)C(N)=C(C2c3cccs3)C#N)=C2C1=O

InChI

InChI=1S/C26H26N4OS2/c1-26(2)11-18-23(19(31)12-26)22(21-9-6-10-32-21)17(14-28)24(29)30(18)25-16(13-27)15-7-4-3-5-8-20(15)33-25/h6,9-10,22H,3-5,7-8,11-12,29H2,1-2H3/t22-/m1/s1

InChI Key

QEORQWYJYYHCPR-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD01414959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.65

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.839

Distribution Coefficient, logD

4.839

Water Solubility, LogSw

-4.77

Polar Surface Area

71.772

Acid Dissociation Constant (pKa)

17.19

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

8008-6731 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8008-6731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6731?
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What is the minimum amount of 8008-6731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6731
  • 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 8008-6731 available by request