E612-1236 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

E612-1236 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide
E612-1236 Screening compound: N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-1236
N-({1-[(4-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

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

E612-1236

Molecular Formula

C26H32FN3O4S (C26 H32 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H32FN3O4S/c1-35(33,34)15-12-24(30-18-21-4-2-3-5-23(21)26(30)32)25(31)28-16-19-10-13-29(14-11-19)17-20-6-8-22(27)9-7-20/h2-9,19,24H,10-18H2,1H3,(H,28,31)/t24-/m0/s1

InChI Key

LHWSWLHRVYQBLR-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14903727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.055

Distribution Coefficient, logD

0.266

Water Solubility, LogSw

-2.93

Polar Surface Area

73.406

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

E612-1236 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E612-1236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-1236?
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What is the minimum amount of E612-1236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-1236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-1236
  • 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 E612-1236 available by request