E612-1029 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

E612-1029 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide
E612-1029 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-1029
N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-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

E612-1029

Molecular Formula

C27H34FN3O2 (C27 H34 FN3 O2)

Compound Name

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

IUPAC name

N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-methyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)pentanamide

SMILES

CC(C)CC(C(NCC1CCN(Cc(cc2)ccc2F)CC1)=O)N(Cc1c2cccc1)C2=O

InChI

InChI=1S/C27H34FN3O2/c1-19(2)15-25(31-18-22-5-3-4-6-24(22)27(31)33)26(32)29-16-20-11-13-30(14-12-20)17-21-7-9-23(28)10-8-21/h3-10,19-20,25H,11-18H2,1-2H3,(H,29,32)/t25-/m0/s1

InChI Key

YSGKYQDEWJCPSD-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14903625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.58

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

4.413

Distribution Coefficient, logD

2.624

Water Solubility, LogSw

-4.25

Polar Surface Area

44.393

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

E612-1029 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E612-1029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-1029?
Check Price and Availability of E612-1029, 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 E612-1029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-1029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-1029
  • 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 E612-1029 available by request