E130-0231 Screening compound: 3-[3-(1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1,2,4-OXADIAZOL-5-YL]-1-[4-PHENYL-3,6-DIHYDRO-1(2H)-PYRIDINYL]-1-PROPANONE

E130-0231 Screening compound: 3-[3-(1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1,2,4-OXADIAZOL-5-YL]-1-[4-PHENYL-3,6-DIHYDRO-1(2H)-PYRIDINYL]-1-PROPANONE
E130-0231 Screening compound: 3-[3-(1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1,2,4-OXADIAZOL-5-YL]-1-[4-PHENYL-3,6-DIHYDRO-1(2H)-PYRIDINYL]-1-PROPANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound E130-0231
3-[3-(1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1,2,4-OXADIAZOL-5-YL]-1-[4-PHENYL-3,6-DIHYDRO-1(2H)-PYRIDINYL]-1-PROPANONE

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

E130-0231

Molecular Formula

C22H26N4O2 (C22 H26 N4 O2)

Compound Name

3-[3-(1-METHYL-1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1,2,4-OXADIAZOL-5-YL]-1-[4-PHENYL-3,6-DIHYDRO-1(2H)-PYRIDINYL]-1-PROPANONE

IUPAC name

3-[3-(1-methyl-1236-tetrahydropyridin-4-yl)-124-oxadiazol-5-yl]-1-(4-phenyl-1236-tetrahydropyridin-1-yl)propan-1-one

SMILES

CN(CC1)CC=C1c1noc(CCC(N(CC2)CC=C2c2ccccc2)=O)n1

InChI

InChI=1S/C22H26N4O2/c1-25-13-9-19(10-14-25)22-23-20(28-24-22)7-8-21(27)26-15-11-18(12-16-26)17-5-3-2-4-6-17/h2-6,9,11H,7-8,10,12-16H2,1H3

InChI Key

VUQZZNHFDCQZHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

2.751

Water Solubility, LogSw

-3.09

Polar Surface Area

51.100

Acid Dissociation Constant (pKa)

22.94

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

E130-0231 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E130-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E130-0231?
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What is the minimum amount of E130-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E130-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E130-0231
  • 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 E130-0231 available by request