Y070-3739 Screening compound: 4-[4-(benzyloxy)benzoyl]-3-hydroxy-5-phenyl-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one

Y070-3739 Screening compound: 4-[4-(benzyloxy)benzoyl]-3-hydroxy-5-phenyl-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one
Y070-3739 Screening compound: 4-[4-(benzyloxy)benzoyl]-3-hydroxy-5-phenyl-1-[(pyridin-3-yl)methyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3739
4-[4-(benzyloxy)benzoyl]-3-hydroxy-5-phenyl-1-[(pyridin-3-yl)methyl]-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

Y070-3739

Molecular Formula

C30H24N2O4 (C30 H24 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

OC(C(N(Cc1cnccc1)C1c2ccccc2)=O)=C1C(c(cc1)ccc1OCc1ccccc1)=O

InChI

InChI=1S/C30H24N2O4/c33-28(24-13-15-25(16-14-24)36-20-21-8-3-1-4-9-21)26-27(23-11-5-2-6-12-23)32(30(35)29(26)34)19-22-10-7-17-31-18-22/h1-18,27,34H,19-20H2/t27-/m0/s1

InChI Key

VIOYKCRIAKUTQJ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD04159119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.168

Distribution Coefficient, logD

4.165

Water Solubility, LogSw

-4.17

Polar Surface Area

61.572

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

Y070-3739 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 Y070-3739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3739?
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What is the minimum amount of Y070-3739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3739
  • 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 Y070-3739 available by request