V029-8089 Screening compound: 3-benzyl-1-(butan-2-yl)-8-(2-fluorobenzoyl)-1,4,8-triazaspiro[4.5]decan-2-one

V029-8089 Screening compound: 3-benzyl-1-(butan-2-yl)-8-(2-fluorobenzoyl)-1,4,8-triazaspiro[4.5]decan-2-one
V029-8089 Screening compound: 3-benzyl-1-(butan-2-yl)-8-(2-fluorobenzoyl)-1,4,8-triazaspiro[4.5]decan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8089
3-benzyl-1-(butan-2-yl)-8-(2-fluorobenzoyl)-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

V029-8089

Molecular Formula

C25H30FN3O2 (C25 H30 FN3 O2)

Compound Name

3-benzyl-1-(butan-2-yl)-8-(2-fluorobenzoyl)-1,4,8-triazaspiro[4.5]decan-2-one

IUPAC name

3-benzyl-1-(butan-2-yl)-8-(2-fluorobenzoyl)-148-triazaspiro[4.5]decan-2-one

SMILES

CCC(C)N(C(CC1)(CCN1C(c(cccc1)c1F)=O)NC1Cc2ccccc2)C1=O

InChI

InChI=1S/C25H30FN3O2/c1-3-18(2)29-24(31)22(17-19-9-5-4-6-10-19)27-25(29)13-15-28(16-14-25)23(30)20-11-7-8-12-21(20)26/h4-12,18,22,27H,3,13-17H2,1-2H3

InChI Key

UHDUSOSFVJSKTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19816986

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

423.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

2.486

Water Solubility, LogSw

-3.73

Polar Surface Area

44.625

Acid Dissociation Constant (pKa)

16.00

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

V029-8089 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V029-8089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8089?
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What is the minimum amount of V029-8089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8089
  • 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 V029-8089 available by request