V021-1596 Screening compound: 3-[3-(benzyloxy)phenyl]-N-isopropyl-N,2-dimethyltetrahydro-4-isoxazolesulfonamide

V021-1596 Screening compound: 3-[3-(benzyloxy)phenyl]-N-isopropyl-N,2-dimethyltetrahydro-4-isoxazolesulfonamide
V021-1596 Screening compound: 3-[3-(benzyloxy)phenyl]-N-isopropyl-N,2-dimethyltetrahydro-4-isoxazolesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1596
3-[3-(benzyloxy)phenyl]-N-isopropyl-N,2-dimethyltetrahydro-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

V021-1596

Molecular Formula

C21H28N2O4S (C21 H28 N2 O4 S)

Compound Name

3-[3-(benzyloxy)phenyl]-N-isopropyl-N,2-dimethyltetrahydro-4-isoxazolesulfonamide

IUPAC name

3-[3-(benzyloxy)phenyl]-N2-dimethyl-N-(propan-2-yl)-12-oxazolidine-4-sulfonamide

SMILES

CC(C)N(C)S(C1C(c2cc(OCc3ccccc3)ccc2)N(C)OC1)(=O)=O

InChI

InChI=1S/C21H28N2O4S/c1-16(2)23(4)28(24,25)20-15-27-22(3)21(20)18-11-8-12-19(13-18)26-14-17-9-6-5-7-10-17/h5-13,16,20-21H,14-15H2,1-4H3

InChI Key

RSIAFBYJUGJBOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19931371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-3.96

Polar Surface Area

56.241

Acid Dissociation Constant (pKa)

18.61

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with V021-1596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1596?
Check Price and Availability of V021-1596, 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 V021-1596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1596
  • 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 V021-1596 available by request