E713-0076 Screening compound: 3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine

E713-0076 Screening compound: 3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
E713-0076 Screening compound: 3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E713-0076
3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)-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

E713-0076

Molecular Formula

C15H21N3O3 (C15 H21 N3 O3)

Compound Name

3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine

IUPAC name

3-(34-dimethoxyphenyl)-N-(3-methylbutyl)-124-oxadiazol-5-amine

SMILES

CC(C)CCNc1nc(-c(cc2)cc(OC)c2OC)no1

InChI

InChI=1S/C15H21N3O3/c1-10(2)7-8-16-15-17-14(18-21-15)11-5-6-12(19-3)13(9-11)20-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,17,18)

InChI Key

UCQNRGXVAXNWCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.496

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-3.67

Polar Surface Area

58.837

Acid Dissociation Constant (pKa)

18.51

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

E713-0076 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E713-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E713-0076?
Check Price and Availability of E713-0076, 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 E713-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E713-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E713-0076
  • 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 E713-0076 available by request