E612-1117 Screening compound: 4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-propylbutanamide

E612-1117 Screening compound: 4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-propylbutanamide
E612-1117 Screening compound: 4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-propylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-1117
4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-propylbutanamide

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

E612-1117

Molecular Formula

C16H22N2O4S (C16 H22 N2 O4 S)

Compound Name

4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-propylbutanamide

IUPAC name

4-methanesulfonyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-N-propylbutanamide

SMILES

CCCNC(C(CCS(C)(=O)=O)N(Cc1c2cccc1)C2=O)=O

InChI

InChI=1S/C16H22N2O4S/c1-3-9-17-15(19)14(8-10-23(2,21)22)18-11-12-6-4-5-7-13(12)16(18)20/h4-7,14H,3,8-11H2,1-2H3,(H,17,19)/t14-/m0/s1

InChI Key

TUMWABFGAAMBOC-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14903669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.544

Distribution Coefficient, logD

0.544

Water Solubility, LogSw

-2.44

Polar Surface Area

69.787

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E612-1117 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E612-1117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-1117?
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What is the minimum amount of E612-1117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-1117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-1117
  • 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 E612-1117 available by request