Y500-4865 Screening compound: 2-amino-5-oxo-1-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

Y500-4865 Screening compound: 2-amino-5-oxo-1-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Y500-4865 Screening compound: 2-amino-5-oxo-1-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-4865
2-amino-5-oxo-1-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

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

Y500-4865

Molecular Formula

C23H18F3N3O (C23 H18 F3 N3 O)

Compound Name

2-amino-5-oxo-1-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

IUPAC name

2-amino-5-oxo-1-phenyl-4-[2-(trifluoromethyl)phenyl]-145678-hexahydroquinoline-3-carbonitrile

SMILES

NC(N(C(CCC1)=C(C2c3c(C(F)(F)F)cccc3)C1=O)c1ccccc1)=C2C#N

InChI

InChI=1S/C23H18F3N3O/c24-23(25,26)17-10-5-4-9-15(17)20-16(13-27)22(28)29(14-7-2-1-3-8-14)18-11-6-12-19(30)21(18)20/h1-5,7-10,20H,6,11-12,28H2/t20-/m1/s1

InChI Key

IVUDALKAQYDBKU-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.968

Water Solubility, LogSw

-4.56

Polar Surface Area

52.377

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

Y500-4865 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y500-4865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-4865?
Check Price and Availability of Y500-4865, 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 Y500-4865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-4865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-4865
  • 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 Y500-4865 available by request