F454-0447 Screening compound: 1-(3-fluoro-4-methylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

F454-0447 Screening compound: 1-(3-fluoro-4-methylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
F454-0447 Screening compound: 1-(3-fluoro-4-methylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F454-0447
1-(3-fluoro-4-methylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-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

F454-0447

Molecular Formula

C19H17FN2O2 (C19 H17 FN2 O2)

Compound Name

1-(3-fluoro-4-methylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

1-(3-fluoro-4-methylphenyl)-77-dimethyl-25-dioxo-125678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)(C1)CC(N(c2cc(F)c(C)cc2)C(C(C#N)=C2)=O)=C2C1=O

InChI

InChI=1S/C19H17FN2O2/c1-11-4-5-13(7-15(11)20)22-16-8-19(2,3)9-17(23)14(16)6-12(10-21)18(22)24/h4-7H,8-9H2,1-3H3

InChI Key

CHWZWMYVEDYSEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.928

Distribution Coefficient, logD

2.928

Water Solubility, LogSw

-3.11

Polar Surface Area

45.636

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

-5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

F454-0447 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F454-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F454-0447?
Check Price and Availability of F454-0447, 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 F454-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F454-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F454-0447
  • 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 F454-0447 available by request