Y041-1013 Screening compound: N-[2-(4-methoxyphenyl)ethyl]-4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

Y041-1013 Screening compound: N-[2-(4-methoxyphenyl)ethyl]-4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide
Y041-1013 Screening compound: N-[2-(4-methoxyphenyl)ethyl]-4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1013
N-[2-(4-methoxyphenyl)ethyl]-4-(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

Y041-1013

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

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

IUPAC name

N-[2-(4-methoxyphenyl)ethyl]-4-(1-oxo-23-dihydro-1H-isoindol-2-yl)butanamide

SMILES

COc1ccc(CCNC(CCCN(Cc2c3cccc2)C3=O)=O)cc1

InChI

InChI=1S/C21H24N2O3/c1-26-18-10-8-16(9-11-18)12-13-22-20(24)7-4-14-23-15-17-5-2-3-6-19(17)21(23)25/h2-3,5-6,8-11H,4,7,12-15H2,1H3,(H,22,24)

InChI Key

QAEBKACPGCAXGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27959949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.623

Distribution Coefficient, logD

1.623

Water Solubility, LogSw

-2.45

Polar Surface Area

48.720

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y041-1013 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 Y041-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1013?
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What is the minimum amount of Y041-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1013
  • 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 Y041-1013 available by request