E903-0121 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide

E903-0121 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
E903-0121 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E903-0121
1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-[(2-ethoxyphenyl)methyl]piperidine-3-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

E903-0121

Molecular Formula

C26H32N4O5 (C26 H32 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(CNC(C2CN(Cc3nc(-c(cc4)cc(OC)c4OC)no3)CCC2)=O)cccc1

InChI

InChI=1S/C26H32N4O5/c1-4-34-21-10-6-5-8-19(21)15-27-26(31)20-9-7-13-30(16-20)17-24-28-25(29-35-24)18-11-12-22(32-2)23(14-18)33-3/h5-6,8,10-12,14,20H,4,7,9,13,15-17H2,1-3H3,(H,27,31)/t20-/m0/s1

InChI Key

ALCHKEKCMREZEV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD13999337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.390

Distribution Coefficient, logD

3.388

Water Solubility, LogSw

-3.57

Polar Surface Area

82.132

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

E903-0121 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 E903-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E903-0121?
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What is the minimum amount of E903-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E903-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E903-0121
  • 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 E903-0121 available by request