8018-4607 Screening compound: 4-[2-amino-3-cyano-5-oxo-4-(2-thienyl)-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-3-thia-1-azatricyclo[5.2.2.0~2,6~]undeca-2(6),4-dien-5-yl cyanide

8018-4607 Screening compound: 4-[2-amino-3-cyano-5-oxo-4-(2-thienyl)-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-3-thia-1-azatricyclo[5.2.2.0~2,6~]undeca-2(6),4-dien-5-yl cyanide
8018-4607 Screening compound: 4-[2-amino-3-cyano-5-oxo-4-(2-thienyl)-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-3-thia-1-azatricyclo[5.2.2.0~2,6~]undeca-2(6),4-dien-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4607
4-[2-amino-3-cyano-5-oxo-4-(2-thienyl)-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-3-thia-1-azatricyclo[5.2.2.0~2,6~]undeca-2(6),4-dien-5-yl cyanide

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

8018-4607

Molecular Formula

C24H21N5OS2 (C24 H21 N5 OS2)

Compound Name

4-[2-amino-3-cyano-5-oxo-4-(2-thienyl)-5,6,7,8-tetrahydro-1(4H)-quinolinyl]-3-thia-1-azatricyclo[5.2.2.0~2,6~]undeca-2(6),4-dien-5-yl cyanide

IUPAC name

4-[2-amino-3-cyano-5-oxo-4-(thiophen-2-yl)-145678-hexahydroquinolin-1-yl]-3-thia-1-azatricyclo[5.2.2.0^{26}]undeca-2(6)4-diene-5-carbonitrile

SMILES

NC(N(c(sc1c2C3CCN1CC3)c2C#N)C(CCC1)=C(C2c3cccs3)C1=O)=C2C#N

InChI

InChI=1S/C24H21N5OS2/c25-11-14-20(18-5-2-10-31-18)21-16(3-1-4-17(21)30)29(22(14)27)23-15(12-26)19-13-6-8-28(9-7-13)24(19)32-23/h2,5,10,13,20H,1,3-4,6-9,27H2/t20-/m1/s1

InChI Key

LCFVCVAZHJGMFV-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD07658935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.062

Distribution Coefficient, logD

3.062

Water Solubility, LogSw

-3.31

Polar Surface Area

73.679

Acid Dissociation Constant (pKa)

16.27

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8018-4607 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-4607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4607?
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What is the minimum amount of 8018-4607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4607
  • 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 8018-4607 available by request