E130-0088 Screening compound: 3-[3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-(propan-2-yl)phenyl]propanamide

E130-0088 Screening compound: 3-[3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-(propan-2-yl)phenyl]propanamide
E130-0088 Screening compound: 3-[3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-(propan-2-yl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E130-0088
3-[3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-(propan-2-yl)phenyl]propanamide

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

E130-0088

Molecular Formula

C20H26N4O2 (C20 H26 N4 O2)

Compound Name

3-[3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]-N-[4-(propan-2-yl)phenyl]propanamide

IUPAC name

3-[3-(1-methyl-1236-tetrahydropyridin-4-yl)-124-oxadiazol-5-yl]-N-[4-(propan-2-yl)phenyl]propanamide

SMILES

CC(C)c(cc1)ccc1NC(CCc1nc(C2=CCN(C)CC2)no1)=O

InChI

InChI=1S/C20H26N4O2/c1-14(2)15-4-6-17(7-5-15)21-18(25)8-9-19-22-20(23-26-19)16-10-12-24(3)13-11-16/h4-7,10,14H,8-9,11-13H2,1-3H3,(H,21,25)

InChI Key

WQYZVTBSTBPBLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.636

Distribution Coefficient, logD

3.230

Water Solubility, LogSw

-3.72

Polar Surface Area

58.128

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

E130-0088 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E130-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E130-0088?
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What is the minimum amount of E130-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E130-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E130-0088
  • 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 E130-0088 available by request