E823-0257 Screening compound: N-benzyl-N-methyl-3-{3-[(4-{4-[(piperidin-1-yl)methyl]benzoyl}piperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl}propanamide

E823-0257 Screening compound: N-benzyl-N-methyl-3-{3-[(4-{4-[(piperidin-1-yl)methyl]benzoyl}piperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl}propanamide
E823-0257 Screening compound: N-benzyl-N-methyl-3-{3-[(4-{4-[(piperidin-1-yl)methyl]benzoyl}piperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E823-0257
N-benzyl-N-methyl-3-{3-[(4-{4-[(piperidin-1-yl)methyl]benzoyl}piperazin-1-yl)methyl]-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

E823-0257

Molecular Formula

C31H40N6O3 (C31 H40 N6 O3)

Compound Name

N-benzyl-N-methyl-3-{3-[(4-{4-[(piperidin-1-yl)methyl]benzoyl}piperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl}propanamide

IUPAC name

N-benzyl-N-methyl-3-{3-[(4-{4-[(piperidin-1-yl)methyl]benzoyl}piperazin-1-yl)methyl]-124-oxadiazol-5-yl}propanamide

SMILES

CN(Cc1ccccc1)C(CCc1nc(CN(CC2)CCN2C(c2ccc(CN3CCCCC3)cc2)=O)no1)=O

InChI

InChI=1S/C31H40N6O3/c1-34(22-25-8-4-2-5-9-25)30(38)15-14-29-32-28(33-40-29)24-36-18-20-37(21-19-36)31(39)27-12-10-26(11-13-27)23-35-16-6-3-7-17-35/h2,4-5,8-13H,3,6-7,14-24H2,1H3

InChI Key

ATQSFHHEPHITNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920564

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

544.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.773

Distribution Coefficient, logD

1.322

Water Solubility, LogSw

-2.88

Polar Surface Area

72.388

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.40

E823-0257 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with E823-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E823-0257?
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What is the minimum amount of E823-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E823-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E823-0257
  • 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 E823-0257 available by request