V015-4502 Screening compound: N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2-(benzyloxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

V015-4502 Screening compound: N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2-(benzyloxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
V015-4502 Screening compound: N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2-(benzyloxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-4502
N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2-(benzyloxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

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

V015-4502

Molecular Formula

C30H31N3O7 (C30 H31 N3 O7)

Compound Name

N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-2-(benzyloxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

IUPAC name

N-{2-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]ethyl}-2-(benzyloxy)-N-[2-(34-dimethoxyphenyl)ethyl]acetamide

SMILES

COc(ccc(CCN(CCc1nc(-c(cc2)cc3c2OCO3)no1)C(COCc1ccccc1)=O)c1)c1OC

InChI

InChI=1S/C30H31N3O7/c1-35-24-10-8-21(16-26(24)36-2)12-14-33(29(34)19-37-18-22-6-4-3-5-7-22)15-13-28-31-30(32-40-28)23-9-11-25-27(17-23)39-20-38-25/h3-11,16-17H,12-15,18-20H2,1-2H3

InChI Key

PJGOFJSYFWERHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19781976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.305

Distribution Coefficient, logD

4.305

Water Solubility, LogSw

-4.49

Polar Surface Area

87.761

Acid Dissociation Constant (pKa)

19.89

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with V015-4502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-4502?
Check Price and Availability of V015-4502, 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 V015-4502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-4502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-4502
  • 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 V015-4502 available by request