E713-0077 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine

E713-0077 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine
E713-0077 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E713-0077
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine

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

E713-0077

Molecular Formula

C18H17N3O5 (C18 H17 N3 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(34-dimethoxyphenyl)-124-oxadiazol-5-amine

SMILES

COc(ccc(-c1noc(NCc(cc2)cc3c2OCO3)n1)c1)c1OC

InChI

InChI=1S/C18H17N3O5/c1-22-13-6-4-12(8-15(13)23-2)17-20-18(26-21-17)19-9-11-3-5-14-16(7-11)25-10-24-14/h3-8H,9-10H2,1-2H3,(H,19,20,21)

InChI Key

OSGSZZIHXTWROL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.152

Distribution Coefficient, logD

3.152

Water Solubility, LogSw

-3.22

Polar Surface Area

75.839

Acid Dissociation Constant (pKa)

18.82

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E713-0077 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E713-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E713-0077?
Check Price and Availability of E713-0077, 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 E713-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E713-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E713-0077
  • 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 E713-0077 available by request