Y070-5029 Screening compound: 1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-2,5-dihydro-1H-pyrrol-2-one

Y070-5029 Screening compound: 1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
Y070-5029 Screening compound: 1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-5029
1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-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

Y070-5029

Molecular Formula

C24H25FN2O4 (C24 H25 FN2 O4)

Compound Name

1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-3-hydroxy-4-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-3-hydroxy-4-(2-methyl-23-dihydro-1-benzofuran-5-carbonyl)-25-dihydro-1H-pyrrol-2-one

SMILES

CC(C1)Oc(cc2)c1cc2C(C(C(c(cccc1)c1F)N(CCN(C)C)C1=O)=C1O)=O

InChI

InChI=1S/C24H25FN2O4/c1-14-12-16-13-15(8-9-19(16)31-14)22(28)20-21(17-6-4-5-7-18(17)25)27(11-10-26(2)3)24(30)23(20)29/h4-9,13-14,21,29H,10-12H2,1-3H3

InChI Key

YORFZOKUUKWPGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06610370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.359

Distribution Coefficient, logD

2.527

Water Solubility, LogSw

-3.50

Polar Surface Area

56.344

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

Y070-5029 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y070-5029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-5029?
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What is the minimum amount of Y070-5029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-5029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-5029
  • 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 Y070-5029 available by request