V012-9731 Screening compound: 3-[3-(4-chlorophenoxy)phenyl]-N~4~-isobutyl-2-methyltetrahydro-4-isoxazolesulfonamide

V012-9731 Screening compound: 3-[3-(4-chlorophenoxy)phenyl]-N~4~-isobutyl-2-methyltetrahydro-4-isoxazolesulfonamide
V012-9731 Screening compound: 3-[3-(4-chlorophenoxy)phenyl]-N~4~-isobutyl-2-methyltetrahydro-4-isoxazolesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9731
3-[3-(4-chlorophenoxy)phenyl]-N~4~-isobutyl-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

V012-9731

Molecular Formula

C20H25ClN2O4S (C20 H25 ClN2 O4 S)

Compound Name

3-[3-(4-chlorophenoxy)phenyl]-N~4~-isobutyl-2-methyltetrahydro-4-isoxazolesulfonamide

IUPAC name

3-[3-(4-chlorophenoxy)phenyl]-2-methyl-N-(2-methylpropyl)-12-oxazolidine-4-sulfonamide

SMILES

CC(C)CNS(C1C(c2cccc(Oc(cc3)ccc3Cl)c2)N(C)OC1)(=O)=O

InChI

InChI=1S/C20H25ClN2O4S/c1-14(2)12-22-28(24,25)19-13-26-23(3)20(19)15-5-4-6-18(11-15)27-17-9-7-16(21)8-10-17/h4-11,14,19-20,22H,12-13H2,1-3H3

InChI Key

LQODRVXIBXAVJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19934468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.759

Distribution Coefficient, logD

4.759

Water Solubility, LogSw

-4.96

Polar Surface Area

64.367

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with V012-9731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9731?
Check Price and Availability of V012-9731, 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 V012-9731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9731
  • 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 V012-9731 available by request