E130-0251 Screening compound: N-[4-(diethylsulfamoyl)phenyl]-3-[3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide

E130-0251 Screening compound: N-[4-(diethylsulfamoyl)phenyl]-3-[3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-oxadiazol-5-yl]propanamide
E130-0251 Screening compound: N-[4-(diethylsulfamoyl)phenyl]-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 E130-0251
N-[4-(diethylsulfamoyl)phenyl]-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

E130-0251

Molecular Formula

C21H29N5O4S (C21 H29 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H29N5O4S/c1-4-26(5-2)31(28,29)18-8-6-17(7-9-18)22-19(27)10-11-20-23-21(24-30-20)16-12-14-25(3)15-13-16/h6-9,12H,4-5,10-11,13-15H2,1-3H3,(H,22,27)

InChI Key

UIVMYWKUVCBIQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.222

Distribution Coefficient, logD

1.816

Water Solubility, LogSw

-2.98

Polar Surface Area

89.224

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

E130-0251 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 E130-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E130-0251?
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What is the minimum amount of E130-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E130-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E130-0251
  • 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 E130-0251 available by request