E612-0950 Screening compound: N-(1-benzylpiperidin-4-yl)-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

E612-0950 Screening compound: N-(1-benzylpiperidin-4-yl)-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide
E612-0950 Screening compound: N-(1-benzylpiperidin-4-yl)-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0950
N-(1-benzylpiperidin-4-yl)-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

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

E612-0950

Molecular Formula

C26H33N3O2 (C26 H33 N3 O2)

Compound Name

N-(1-benzylpiperidin-4-yl)-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-4-methyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)pentanamide

SMILES

CC(C)CC(C(NC1CCN(Cc2ccccc2)CC1)=O)N(Cc1c2cccc1)C2=O

InChI

InChI=1S/C26H33N3O2/c1-19(2)16-24(29-18-21-10-6-7-11-23(21)26(29)31)25(30)27-22-12-14-28(15-13-22)17-20-8-4-3-5-9-20/h3-11,19,22,24H,12-18H2,1-2H3,(H,27,30)/t24-/m0/s1

InChI Key

GATQKLATUMHZNQ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14903588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

2.328

Water Solubility, LogSw

-3.94

Polar Surface Area

43.927

Acid Dissociation Constant (pKa)

15.95

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with E612-0950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0950?
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What is the minimum amount of E612-0950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0950
  • 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 E612-0950 available by request