Y070-3931 Screening compound: 4-[4-(benzyloxy)benzoyl]-3-hydroxy-1-(2-methoxyethyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one

Y070-3931 Screening compound: 4-[4-(benzyloxy)benzoyl]-3-hydroxy-1-(2-methoxyethyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one
Y070-3931 Screening compound: 4-[4-(benzyloxy)benzoyl]-3-hydroxy-1-(2-methoxyethyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3931
4-[4-(benzyloxy)benzoyl]-3-hydroxy-1-(2-methoxyethyl)-5-(pyridin-3-yl)-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

Y070-3931

Molecular Formula

C26H24N2O5 (C26 H24 N2 O5)

Compound Name

4-[4-(benzyloxy)benzoyl]-3-hydroxy-1-(2-methoxyethyl)-5-(pyridin-3-yl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-[4-(benzyloxy)benzoyl]-3-hydroxy-1-(2-methoxyethyl)-5-(pyridin-3-yl)-25-dihydro-1H-pyrrol-2-one

SMILES

COCCN(C(C(C(c(cc1)ccc1OCc1ccccc1)=O)=C1O)c2cnccc2)C1=O

InChI

InChI=1S/C26H24N2O5/c1-32-15-14-28-23(20-8-5-13-27-16-20)22(25(30)26(28)31)24(29)19-9-11-21(12-10-19)33-17-18-6-3-2-4-7-18/h2-13,16,23,30H,14-15,17H2,1H3/t23-/m0/s1

InChI Key

IRTBLHTVGGQLHN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04194191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.887

Distribution Coefficient, logD

2.885

Water Solubility, LogSw

-2.87

Polar Surface Area

70.165

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

Y070-3931 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y070-3931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3931?
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What is the minimum amount of Y070-3931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3931
  • 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 Y070-3931 available by request