E903-0035 Screening compound: 1-(1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-3-carbonyl)-1,2,3,4-tetrahydroquinoline

E903-0035 Screening compound: 1-(1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-3-carbonyl)-1,2,3,4-tetrahydroquinoline
E903-0035 Screening compound: 1-(1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-3-carbonyl)-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E903-0035
1-(1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-3-carbonyl)-1,2,3,4-tetrahydroquinoline

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

E903-0035

Molecular Formula

C26H30N4O4 (C26 H30 N4 O4)

Compound Name

1-(1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine-3-carbonyl)-1,2,3,4-tetrahydroquinoline

IUPAC name

1-(1-{[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}piperidine-3-carbonyl)-1234-tetrahydroquinoline

SMILES

COc(ccc(-c1noc(CN(CCC2)CC2C(N(CCC2)c3c2cccc3)=O)n1)c1)c1OC

InChI

InChI=1S/C26H30N4O4/c1-32-22-12-11-19(15-23(22)33-2)25-27-24(34-28-25)17-29-13-5-9-20(16-29)26(31)30-14-6-8-18-7-3-4-10-21(18)30/h3-4,7,10-12,15,20H,5-6,8-9,13-14,16-17H2,1-2H3/t20-/m0/s1

InChI Key

VFPSEWLSNNFQFS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD13999269

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

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.792

Distribution Coefficient, logD

3.792

Water Solubility, LogSw

-3.98

Polar Surface Area

65.821

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

E903-0035 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E903-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E903-0035?
Check Price and Availability of E903-0035, 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 E903-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E903-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E903-0035
  • 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 E903-0035 available by request