8008-5566 Screening compound: 2-amino-1-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8008-5566 Screening compound: 2-amino-1-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8008-5566 Screening compound: 2-amino-1-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5566
2-amino-1-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-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

8008-5566

Molecular Formula

C28H27FN4OS (C28 H27 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(N(c(sc2c3CCCCC2)c3C#N)C(N)=C(C2c(cc3)ccc3F)C#N)=C2C1=O

InChI

InChI=1S/C28H27FN4OS/c1-28(2)12-21-25(22(34)13-28)24(16-8-10-17(29)11-9-16)20(15-31)26(32)33(21)27-19(14-30)18-6-4-3-5-7-23(18)35-27/h8-11,24H,3-7,12-13,32H2,1-2H3/t24-/m0/s1

InChI Key

XRIVHSHBGSNELZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01305349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.61

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

5.163

Distribution Coefficient, logD

5.163

Water Solubility, LogSw

-5.01

Polar Surface Area

70.754

Acid Dissociation Constant (pKa)

17.34

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

8008-5566 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 8008-5566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5566?
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What is the minimum amount of 8008-5566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5566
  • 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 8008-5566 available by request