8006-8005 Screening compound: 2-amino-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8006-8005 Screening compound: 2-amino-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8006-8005 Screening compound: 2-amino-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8005
2-amino-4-(4-bromophenyl)-1-(4-methoxyphenyl)-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

8006-8005

Molecular Formula

C23H20BrN3O2 (C23 H20 BrN3 O2)

Compound Name

2-amino-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

COc(cc1)ccc1N(C(CCC1)=C(C2c(cc3)ccc3Br)C1=O)C(N)=C2C#N

InChI

InChI=1S/C23H20BrN3O2/c1-29-17-11-9-16(10-12-17)27-19-3-2-4-20(28)22(19)21(18(13-25)23(27)26)14-5-7-15(24)8-6-14/h5-12,21H,2-4,26H2,1H3/t21-/m1/s1

InChI Key

MRVRSFAICJEVAO-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD00826660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.33

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

3.883

Distribution Coefficient, logD

3.883

Water Solubility, LogSw

-4.39

Polar Surface Area

59.921

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

8006-8005 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 8006-8005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8005?
Check Price and Availability of 8006-8005, 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 8006-8005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8005
  • 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 8006-8005 available by request