8009-9123 Screening compound: 2-[2-amino-3-cyano-5-oxo-4-(3-thienyl)-5,6,7,8-tetrahydro-1(4H)-quinolinyl]phenyl cyanide

8009-9123 Screening compound: 2-[2-amino-3-cyano-5-oxo-4-(3-thienyl)-5,6,7,8-tetrahydro-1(4H)-quinolinyl]phenyl cyanide
8009-9123 Screening compound: 2-[2-amino-3-cyano-5-oxo-4-(3-thienyl)-5,6,7,8-tetrahydro-1(4H)-quinolinyl]phenyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9123
2-[2-amino-3-cyano-5-oxo-4-(3-thienyl)-5,6,7,8-tetrahydro-1(4H)-quinolinyl]phenyl 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

8009-9123

Molecular Formula

C21H16N4OS (C21 H16 N4 OS)

Compound Name

2-[2-amino-3-cyano-5-oxo-4-(3-thienyl)-5,6,7,8-tetrahydro-1(4H)-quinolinyl]phenyl cyanide

IUPAC name

2-amino-1-(2-cyanophenyl)-5-oxo-4-(thiophen-3-yl)-145678-hexahydroquinoline-3-carbonitrile

SMILES

NC(N(C(CCC1)=C(C2c3cscc3)C1=O)c(cccc1)c1C#N)=C2C#N

InChI

InChI=1S/C21H16N4OS/c22-10-13-4-1-2-5-16(13)25-17-6-3-7-18(26)20(17)19(14-8-9-27-12-14)15(11-23)21(25)24/h1-2,4-5,8-9,12,19H,3,6-7,24H2/t19-/m1/s1

InChI Key

BIGUCKFIBBSIFQ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD02110132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.45

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

2.602

Distribution Coefficient, logD

2.602

Water Solubility, LogSw

-3.35

Polar Surface Area

70.150

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

-4.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.05

8009-9123 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 8009-9123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9123?
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What is the minimum amount of 8009-9123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9123
  • 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 8009-9123 available by request