V002-4101 Screening compound: 8-(cyclopentylcarbonyl)-1-(4-fluorobenzyl)-3-isobutyl-1,4,8-triazaspiro[4.5]decan-2-one
Chemical Structure Depiction of ChemDiv screening compound V002-4101
8-(cyclopentylcarbonyl)-1-(4-fluorobenzyl)-3-isobutyl-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
V002-4101
Molecular Formula
C24H34FN3O2 (C24 H34 FN3 O2)
Compound Name
8-(cyclopentylcarbonyl)-1-(4-fluorobenzyl)-3-isobutyl-1,4,8-triazaspiro[4.5]decan-2-one
IUPAC name
8-cyclopentanecarbonyl-1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)-148-triazaspiro[4.5]decan-2-one
SMILES
CC(C)CC1NC(CC2)(CCN2C(C2CCCC2)=O)N(Cc(cc2)ccc2F)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
415.55
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
3.911
Distribution Coefficient, logD
3.585
Water Solubility, LogSw
-3.90
Polar Surface Area
45.878
Acid Dissociation Constant (pKa)
15.48
Base Dissociation Constant (pKb)
7.45
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
66.67
V002-4101 in Drug Discovery
Included in Screening Libraries
Voltage-Gated Ion Channel-Targeted Library (4740 compounds)
Included in 1.7M Stock Database
- Nervous system
- Ion Channels
References: we are preparing a list of scientific research reports with V002-4101 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)