V026-5593 Screening compound: 3-(butan-2-yl)-8-cyclopentanecarbonyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one

V026-5593 Screening compound: 3-(butan-2-yl)-8-cyclopentanecarbonyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one
V026-5593 Screening compound: 3-(butan-2-yl)-8-cyclopentanecarbonyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5593
3-(butan-2-yl)-8-cyclopentanecarbonyl-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

V026-5593

Molecular Formula

C25H34F3N3O2 (C25 H34 F3 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)C1NC(CC2)(CCN2C(C2CCCC2)=O)N(Cc2cccc(C(F)(F)F)c2)C1=O

InChI

InChI=1S/C25H34F3N3O2/c1-3-17(2)21-23(33)31(16-18-7-6-10-20(15-18)25(26,27)28)24(29-21)11-13-30(14-12-24)22(32)19-8-4-5-9-19/h6-7,10,15,17,19,21,29H,3-5,8-9,11-14,16H2,1-2H3

InChI Key

QKOMFRMZZDVBQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19817569

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

465.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.646

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.39

Polar Surface Area

45.772

Acid Dissociation Constant (pKa)

16.13

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.00

V026-5593 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V026-5593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5593?
Check Price and Availability of V026-5593, 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 V026-5593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5593
  • 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 V026-5593 available by request