8020-3706 Screening compound: 4-[3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidine

8020-3706 Screening compound: 4-[3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidine
8020-3706 Screening compound: 4-[3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3706
4-[3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidine

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

8020-3706

Molecular Formula

C16H19N3O5 (C16 H19 N3 O5)

Compound Name

4-[3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidine

IUPAC name

4-[3-(67-dimethoxy-2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]piperidine

SMILES

COc1c2OCOc2cc(-c2noc(C3CCNCC3)n2)c1OC

InChI

InChI=1S/C16H19N3O5/c1-20-12-10(7-11-13(14(12)21-2)23-8-22-11)15-18-16(24-19-15)9-3-5-17-6-4-9/h7,9,17H,3-6,8H2,1-2H3

InChI Key

VVUIPQAOENUYTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.501

Distribution Coefficient, logD

-1.418

Water Solubility, LogSw

-2.04

Polar Surface Area

76.031

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

10.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8020-3706 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8020-3706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3706?
Check Price and Availability of 8020-3706, 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 8020-3706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3706
  • 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 8020-3706 available by request