E612-0642F Screening compound: N-BENZYL-3-METHYL-2-(1-OXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)BUTANAMIDE

E612-0642F Screening compound: N-BENZYL-3-METHYL-2-(1-OXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)BUTANAMIDE
E612-0642F Screening compound: N-BENZYL-3-METHYL-2-(1-OXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0642F
N-BENZYL-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

E612-0642F

Molecular Formula

C20H22N2O2 (C20 H22 N2 O2)

Compound Name

N-BENZYL-3-METHYL-2-(1-OXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)BUTANAMIDE

IUPAC name

n/a

SMILES

CC(C)C(C(NCc1ccccc1)=O)N(Cc1c2cccc1)C2=O

InChI

InChI=1S/C20H22N2O2/c1-14(2)18(19(23)21-12-15-8-4-3-5-9-15)22-13-16-10-6-7-11-17(16)20(22)24/h3-11,14,18H,12-13H2,1-2H3,(H,21,23)/t18-/m0/s1

InChI Key

TYTTZFNJCJKEKZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14903461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.975

Distribution Coefficient, logD

2.975

Water Solubility, LogSw

-3.41

Polar Surface Area

40.696

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

E612-0642F in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E612-0642F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0642F?
Check Price and Availability of E612-0642F, 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 E612-0642F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0642F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0642F
  • 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 E612-0642F available by request