V026-4965 Screening compound: N~4~-(tert-butyl)-3-(4-chlorophenyl)-2-methyltetrahydro-4-isoxazolesulfonamide
Chemical Structure Depiction of ChemDiv screening compound V026-4965
N~4~-(tert-butyl)-3-(4-chlorophenyl)-2-methyltetrahydro-4-isoxazolesulfonamide
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
V026-4965
Molecular Formula
C14H21ClN2O3S (C14 H21 ClN2 O3 S)
Compound Name
N~4~-(tert-butyl)-3-(4-chlorophenyl)-2-methyltetrahydro-4-isoxazolesulfonamide
IUPAC name
N-tert-butyl-3-(4-chlorophenyl)-2-methyl-12-oxazolidine-4-sulfonamide
SMILES
CC(C)(C)NS(C1C(c(cc2)ccc2Cl)N(C)OC1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
332.85
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.931
Distribution Coefficient, logD
2.931
Water Solubility, LogSw
-3.89
Polar Surface Area
56.656
Acid Dissociation Constant (pKa)
11.12
Base Dissociation Constant (pKb)
-0.95
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
57.10
V026-4965 in Drug Discovery
Included in Screening Libraries
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with V026-4965 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)