E612-0657 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

E612-0657 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide
E612-0657 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0657
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-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

E612-0657

Molecular Formula

C23H28N2O4 (C23 H28 N2 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-3-methyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)butanamide

SMILES

CC(C)C(C(NCCc(cc1)cc(OC)c1OC)=O)N(Cc1c2cccc1)C2=O

InChI

InChI=1S/C23H28N2O4/c1-15(2)21(25-14-17-7-5-6-8-18(17)23(25)27)22(26)24-12-11-16-9-10-19(28-3)20(13-16)29-4/h5-10,13,15,21H,11-12,14H2,1-4H3,(H,24,26)/t21-/m0/s1

InChI Key

OXVNNOZYXWUMTM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14903468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.666

Distribution Coefficient, logD

2.666

Water Solubility, LogSw

-3.21

Polar Surface Area

55.799

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

E612-0657 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E612-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0657?
Check Price and Availability of E612-0657, 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 E612-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0657
  • 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 E612-0657 available by request