V028-9726 Screening compound: 8-(3-fluorobenzoyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one

V028-9726 Screening compound: 8-(3-fluorobenzoyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
V028-9726 Screening compound: 8-(3-fluorobenzoyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9726
8-(3-fluorobenzoyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one

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

V028-9726

Molecular Formula

C22H21F4N3O2 (C22 H21 F4 N3 O2)

Compound Name

8-(3-fluorobenzoyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one

IUPAC name

8-(3-fluorobenzoyl)-1-{[3-(trifluoromethyl)phenyl]methyl}-148-triazaspiro[4.5]decan-2-one

SMILES

O=C(c1cccc(F)c1)N(CC1)CCC1(NC1)N(Cc2cc(C(F)(F)F)ccc2)C1=O

InChI

InChI=1S/C22H21F4N3O2/c23-18-6-2-4-16(12-18)20(31)28-9-7-21(8-10-28)27-13-19(30)29(21)14-15-3-1-5-17(11-15)22(24,25)26/h1-6,11-12,27H,7-10,13-14H2

InChI Key

RLNWYUGBPFKABG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19814254

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

435.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.829

Distribution Coefficient, logD

2.177

Water Solubility, LogSw

-3.33

Polar Surface Area

44.834

Acid Dissociation Constant (pKa)

18.06

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

V028-9726 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V028-9726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9726?
Check Price and Availability of V028-9726, 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 V028-9726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9726
  • 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 V028-9726 available by request