E130-0071 Screening compound: N-(2-methoxy-5-nitrophenyl)-3-[3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide

E130-0071 Screening compound: N-(2-methoxy-5-nitrophenyl)-3-[3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
E130-0071 Screening compound: N-(2-methoxy-5-nitrophenyl)-3-[3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E130-0071
N-(2-methoxy-5-nitrophenyl)-3-[3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]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

E130-0071

Molecular Formula

C18H21N5O5 (C18 H21 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CC=C1c1noc(CCC(Nc(cc(cc2)[N+]([O-])=O)c2OC)=O)n1

InChI

InChI=1S/C18H21N5O5/c1-22-9-7-12(8-10-22)18-20-17(28-21-18)6-5-16(24)19-14-11-13(23(25)26)3-4-15(14)27-2/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,19,24)

InChI Key

FIXBWPRWLAHXPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.889

Distribution Coefficient, logD

1.483

Water Solubility, LogSw

-2.71

Polar Surface Area

98.442

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E130-0071 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 E130-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E130-0071?
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What is the minimum amount of E130-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E130-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E130-0071
  • 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 E130-0071 available by request