E612-1203 Screening compound: methyl 4-[4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]benzoate

E612-1203 Screening compound: methyl 4-[4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]benzoate
E612-1203 Screening compound: methyl 4-[4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-1203
methyl 4-[4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]benzoate

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

E612-1203

Molecular Formula

C21H22N2O6S (C21 H22 N2 O6 S)

Compound Name

methyl 4-[4-methanesulfonyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]benzoate

IUPAC name

methyl 4-[4-methanesulfonyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)butanamido]benzoate

SMILES

COC(c(cc1)ccc1NC(C(CCS(C)(=O)=O)N(Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C21H22N2O6S/c1-29-21(26)14-7-9-16(10-8-14)22-19(24)18(11-12-30(2,27)28)23-13-15-5-3-4-6-17(15)20(23)25/h3-10,18H,11-13H2,1-2H3,(H,22,24)/t18-/m0/s1

InChI Key

XBJJHBOTKIHGJC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14903715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.568

Distribution Coefficient, logD

1.568

Water Solubility, LogSw

-2.59

Polar Surface Area

89.525

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

E612-1203 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

SH2 Library (10483 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with E612-1203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-1203?
Check Price and Availability of E612-1203, 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 E612-1203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-1203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-1203
  • 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 E612-1203 available by request