Y070-4486 Screening compound: 3-hydroxy-5-(4-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-4-[4-(propan-2-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one

Y070-4486 Screening compound: 3-hydroxy-5-(4-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-4-[4-(propan-2-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one
Y070-4486 Screening compound: 3-hydroxy-5-(4-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-4-[4-(propan-2-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-4486
3-hydroxy-5-(4-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-4-[4-(propan-2-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one

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

Y070-4486

Molecular Formula

C27H32N2O5 (C27 H32 N2 O5)

Compound Name

3-hydroxy-5-(4-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-4-[4-(propan-2-yloxy)benzoyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

3-hydroxy-5-(4-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-4-[4-(propan-2-yloxy)benzoyl]-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C)Oc(cc1)ccc1C(C(C(c1ccc(C)cc1)N(CCN1CCOCC1)C1=O)=C1O)=O

InChI

InChI=1S/C27H32N2O5/c1-18(2)34-22-10-8-21(9-11-22)25(30)23-24(20-6-4-19(3)5-7-20)29(27(32)26(23)31)13-12-28-14-16-33-17-15-28/h4-11,18,24,31H,12-17H2,1-3H3/t24-/m0/s1

InChI Key

FTALPZNDGBOUPU-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03284467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.401

Distribution Coefficient, logD

3.386

Water Solubility, LogSw

-3.18

Polar Surface Area

63.499

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

Y070-4486 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y070-4486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4486?
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What is the minimum amount of Y070-4486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4486
  • 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 Y070-4486 available by request