8006-4644 Screening compound: 2-amino-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8006-4644 Screening compound: 2-amino-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8006-4644 Screening compound: 2-amino-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4644
2-amino-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-4-(thiophen-3-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

8006-4644

Molecular Formula

C23H23N3OS (C23 H23 N3 OS)

Compound Name

2-amino-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-77-dimethyl-1-(3-methylphenyl)-5-oxo-4-(thiophen-3-yl)-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)(C1)CC(N(c2cc(C)ccc2)C(N)=C(C2c3cscc3)C#N)=C2C1=O

InChI

InChI=1S/C23H23N3OS/c1-14-5-4-6-16(9-14)26-18-10-23(2,3)11-19(27)21(18)20(15-7-8-28-13-15)17(12-24)22(26)25/h4-9,13,20H,10-11,25H2,1-3H3/t20-/m1/s1

InChI Key

VNAKYMMNBLWVIQ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD00825263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

3.974

Water Solubility, LogSw

-4.26

Polar Surface Area

53.395

Acid Dissociation Constant (pKa)

16.62

Base Dissociation Constant (pKb)

-4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8006-4644 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8006-4644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4644?
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What is the minimum amount of 8006-4644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4644
  • 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 8006-4644 available by request