E612-0617 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

E612-0617 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide
E612-0617 Screening compound: N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0617
N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

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

E612-0617

Molecular Formula

C30H32ClN3O2 (C30 H32 ClN3 O2)

Compound Name

N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

IUPAC name

N-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

SMILES

O=C(C(Cc1ccccc1)N(Cc1c2cccc1)C2=O)NCC1CCN(Cc2cccc(Cl)c2)CC1

InChI

InChI=1S/C30H32ClN3O2/c31-26-11-6-9-24(17-26)20-33-15-13-23(14-16-33)19-32-29(35)28(18-22-7-2-1-3-8-22)34-21-25-10-4-5-12-27(25)30(34)36/h1-12,17,23,28H,13-16,18-21H2,(H,32,35)/t28-/m0/s1

InChI Key

CONFMOZWQDHYJS-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14903455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.473

Distribution Coefficient, logD

3.656

Water Solubility, LogSw

-6.01

Polar Surface Area

44.122

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E612-0617 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with E612-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0617?
Check Price and Availability of E612-0617, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E612-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0617
  • 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 E612-0617 available by request