V021-4120 Screening compound: 5-(1,3-benzodioxol-5-yl)-N~3~-(1,2-dimethylpropyl)-3-isoxazolecarboxamide

V021-4120 Screening compound: 5-(1,3-benzodioxol-5-yl)-N~3~-(1,2-dimethylpropyl)-3-isoxazolecarboxamide
V021-4120 Screening compound: 5-(1,3-benzodioxol-5-yl)-N~3~-(1,2-dimethylpropyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-4120
5-(1,3-benzodioxol-5-yl)-N~3~-(1,2-dimethylpropyl)-3-isoxazolecarboxamide

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

V021-4120

Molecular Formula

C16H18N2O4 (C16 H18 N2 O4)

Compound Name

5-(1,3-benzodioxol-5-yl)-N~3~-(1,2-dimethylpropyl)-3-isoxazolecarboxamide

IUPAC name

n/a

SMILES

CC(C)C(C)NC(c1noc(-c(cc2)cc3c2OCO3)c1)=O

InChI

InChI=1S/C16H18N2O4/c1-9(2)10(3)17-16(19)12-7-14(22-18-12)11-4-5-13-15(6-11)21-8-20-13/h4-7,9-10H,8H2,1-3H3,(H,17,19)/t10-/m0/s1

InChI Key

FHZATSYFDKYBLP-JTQLQIEISA-N

MDL Number (MFCD)

MFCD19954943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

3.525

Water Solubility, LogSw

-3.63

Polar Surface Area

62.737

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with V021-4120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-4120?
Check Price and Availability of V021-4120, 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 V021-4120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-4120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-4120
  • 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 V021-4120 available by request