Y041-5235 Screening compound: N-[(2-fluorophenyl)methyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

Y041-5235 Screening compound: N-[(2-fluorophenyl)methyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide
Y041-5235 Screening compound: N-[(2-fluorophenyl)methyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5235
N-[(2-fluorophenyl)methyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

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

Y041-5235

Molecular Formula

C21H23FN2O2 (C21 H23 FN2 O2)

Compound Name

N-[(2-fluorophenyl)methyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

IUPAC name

(2S3R)-N-[(2-fluorophenyl)methyl]-3-methyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)pentanamide

SMILES

CC[C@@H](C)[C@@H](C(NCc(cccc1)c1F)=O)N(Cc1c2cccc1)C2=O

InChI

InChI=1S/C21H23FN2O2/c1-3-14(2)19(20(25)23-12-15-8-5-7-11-18(15)22)24-13-16-9-4-6-10-17(16)21(24)26/h4-11,14,19H,3,12-13H2,1-2H3,(H,23,25)/t14-,19+/m1/s1

InChI Key

YMYVRKIYLOMDRH-KUHUBIRLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.507

Water Solubility, LogSw

-3.67

Polar Surface Area

40.696

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

Y041-5235 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-5235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5235?
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What is the minimum amount of Y041-5235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5235
  • 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 Y041-5235 available by request