V030-4642 Screening compound: N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-nitrobenzamide

V030-4642 Screening compound: N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-nitrobenzamide
V030-4642 Screening compound: N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4642
N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-nitrobenzamide

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

V030-4642

Molecular Formula

C22H22N4O6 (C22 H22 N4 O6)

Compound Name

N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-nitrobenzamide

IUPAC name

N-{2-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]ethyl}-N-butyl-3-nitrobenzamide

SMILES

CCCCN(CCc1nc(-c(cc2)cc3c2OCO3)no1)C(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C22H22N4O6/c1-2-3-10-25(22(27)16-5-4-6-17(12-16)26(28)29)11-9-20-23-21(24-32-20)15-7-8-18-19(13-15)31-14-30-18/h4-8,12-13H,2-3,9-11,14H2,1H3

InChI Key

WGLMSHWJUOCQIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20493854

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

438.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.522

Distribution Coefficient, logD

4.522

Water Solubility, LogSw

-4.28

Polar Surface Area

98.246

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with V030-4642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4642?
Check Price and Availability of V030-4642, 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 V030-4642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4642
  • 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 V030-4642 available by request