V021-3586 Screening compound: 3-(4-isopropylphenyl)-N-(2-methoxyphenethyl)-2-methyltetrahydro-4-isoxazolesulfonamide

V021-3586 Screening compound: 3-(4-isopropylphenyl)-N-(2-methoxyphenethyl)-2-methyltetrahydro-4-isoxazolesulfonamide
V021-3586 Screening compound: 3-(4-isopropylphenyl)-N-(2-methoxyphenethyl)-2-methyltetrahydro-4-isoxazolesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3586
3-(4-isopropylphenyl)-N-(2-methoxyphenethyl)-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

V021-3586

Molecular Formula

C22H30N2O4S (C22 H30 N2 O4 S)

Compound Name

3-(4-isopropylphenyl)-N-(2-methoxyphenethyl)-2-methyltetrahydro-4-isoxazolesulfonamide

IUPAC name

N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(propan-2-yl)phenyl]-12-oxazolidine-4-sulfonamide

SMILES

CC(C)c1ccc(C2N(C)OCC2S(NCCc(cccc2)c2OC)(=O)=O)cc1

InChI

InChI=1S/C22H30N2O4S/c1-16(2)17-9-11-19(12-10-17)22-21(15-28-24(22)3)29(25,26)23-14-13-18-7-5-6-8-20(18)27-4/h5-12,16,21-23H,13-15H2,1-4H3

InChI Key

QSETTYVGZPLHPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19931483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.532

Distribution Coefficient, logD

4.532

Water Solubility, LogSw

-4.29

Polar Surface Area

64.819

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.46

References: we are preparing a list of scientific research reports with V021-3586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3586?
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What is the minimum amount of V021-3586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3586
  • 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 V021-3586 available by request