E903-0677 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-phenyl-N-(prop-2-en-1-yl)piperidine-4-carboxamide

E903-0677 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-phenyl-N-(prop-2-en-1-yl)piperidine-4-carboxamide
E903-0677 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-phenyl-N-(prop-2-en-1-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E903-0677
1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-phenyl-N-(prop-2-en-1-yl)piperidine-4-carboxamide

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

E903-0677

Molecular Formula

C26H30N4O4 (C26 H30 N4 O4)

Compound Name

1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-phenyl-N-(prop-2-en-1-yl)piperidine-4-carboxamide

IUPAC name

1-{[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}-N-phenyl-N-(prop-2-en-1-yl)piperidine-4-carboxamide

SMILES

COc(ccc(-c1noc(CN(CC2)CCC2C(N(CC=C)c2ccccc2)=O)n1)c1)c1OC

InChI

InChI=1S/C26H30N4O4/c1-4-14-30(21-8-6-5-7-9-21)26(31)19-12-15-29(16-13-19)18-24-27-25(28-34-24)20-10-11-22(32-2)23(17-20)33-3/h4-11,17,19H,1,12-16,18H2,2-3H3

InChI Key

RAURLPDNFNBLSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14926990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

3.806

Water Solubility, LogSw

-4.05

Polar Surface Area

66.176

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

E903-0677 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E903-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E903-0677?
Check Price and Availability of E903-0677, 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 E903-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E903-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E903-0677
  • 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 E903-0677 available by request