Y041-5279 Screening compound: methyl 3-methyl-2-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamido]pentanoate

Y041-5279 Screening compound: methyl 3-methyl-2-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamido]pentanoate
Y041-5279 Screening compound: methyl 3-methyl-2-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamido]pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5279
methyl 3-methyl-2-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamido]pentanoate

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

Y041-5279

Molecular Formula

C23H26N2O4 (C23 H26 N2 O4)

Compound Name

methyl 3-methyl-2-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamido]pentanoate

IUPAC name

methyl (2S3R)-3-methyl-2-[(2S)-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylacetamido]pentanoate

SMILES

CC[C@H](C)[C@H](C(OC)=O)NC([C@@H](c1ccccc1)N(Cc1c2cccc1)C2=O)=O

InChI

InChI=1S/C23H26N2O4/c1-4-15(2)19(23(28)29-3)24-21(26)20(16-10-6-5-7-11-16)25-14-17-12-8-9-13-18(17)22(25)27/h5-13,15,19-20H,4,14H2,1-3H3,(H,24,26)/t15-,19+,20+/m0/s1

InChI Key

RCZRNABNLFAACC-CWFSZBLJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-3.64

Polar Surface Area

61.222

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

34.80

Y041-5279 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y041-5279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5279?
Check Price and Availability of Y041-5279, 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 Y041-5279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5279
  • 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 Y041-5279 available by request