8006-9360 Screening compound: 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8006-9360 Screening compound: 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8006-9360 Screening compound: 2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9360
2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-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

8006-9360

Molecular Formula

C24H20ClN3O3 (C24 H20 ClN3 O3)

Compound Name

2-amino-4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-4-(2H-13-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

Cc(c(N(C(CCC1)=C(C2c(cc3)cc4c3OCO4)C1=O)C(N)=C2C#N)ccc1)c1Cl

InChI

InChI=1S/C24H20ClN3O3/c1-13-16(25)4-2-5-17(13)28-18-6-3-7-19(29)23(18)22(15(11-26)24(28)27)14-8-9-20-21(10-14)31-12-30-20/h2,4-5,8-10,22H,3,6-7,12,27H2,1H3/t22-/m0/s1

InChI Key

SBKBIMAHZHNSOX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00827446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.52

Polar Surface Area

69.191

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8006-9360 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 8006-9360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9360?
Check Price and Availability of 8006-9360, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8006-9360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9360
  • 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 8006-9360 available by request