E713-0041 Screening compound: N-CYCLOHEPTYL-3-(3,4-DIMETHOXYPHENYL)-1,2,4-OXADIAZOL-5-AMINE

E713-0041 Screening compound: N-CYCLOHEPTYL-3-(3,4-DIMETHOXYPHENYL)-1,2,4-OXADIAZOL-5-AMINE
E713-0041 Screening compound: N-CYCLOHEPTYL-3-(3,4-DIMETHOXYPHENYL)-1,2,4-OXADIAZOL-5-AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound E713-0041
N-CYCLOHEPTYL-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

E713-0041

Molecular Formula

C17H23N3O3 (C17 H23 N3 O3)

Compound Name

N-CYCLOHEPTYL-3-(3,4-DIMETHOXYPHENYL)-1,2,4-OXADIAZOL-5-AMINE

IUPAC name

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

SMILES

COc(ccc(-c1noc(NC2CCCCCC2)n1)c1)c1OC

InChI

InChI=1S/C17H23N3O3/c1-21-14-10-9-12(11-15(14)22-2)16-19-17(23-20-16)18-13-7-5-3-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H,18,19,20)

InChI Key

JRURSAORBDSZKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.315

Distribution Coefficient, logD

4.315

Water Solubility, LogSw

-4.36

Polar Surface Area

58.780

Acid Dissociation Constant (pKa)

19.13

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

E713-0041 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 E713-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E713-0041?
Check Price and Availability of E713-0041, 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 E713-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E713-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E713-0041
  • 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 E713-0041 available by request