Y070-2105 Screening compound: 1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-4-{4-[(2-methylphenyl)methoxy]benzoyl}-2,5-dihydro-1H-pyrrol-2-one

Y070-2105 Screening compound: 1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-4-{4-[(2-methylphenyl)methoxy]benzoyl}-2,5-dihydro-1H-pyrrol-2-one
Y070-2105 Screening compound: 1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-4-{4-[(2-methylphenyl)methoxy]benzoyl}-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-2105
1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-4-{4-[(2-methylphenyl)methoxy]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

Y070-2105

Molecular Formula

C29H30N2O5 (C29 H30 N2 O5)

Compound Name

1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-4-{4-[(2-methylphenyl)methoxy]benzoyl}-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-hydroxyphenyl)-4-{4-[(2-methylphenyl)methoxy]benzoyl}-25-dihydro-1H-pyrrol-2-one

SMILES

Cc1c(COc(cc2)ccc2C(C(C(c(cc2)ccc2O)N(CCN(C)C)C2=O)=C2O)=O)cccc1

InChI

InChI=1S/C29H30N2O5/c1-19-6-4-5-7-22(19)18-36-24-14-10-21(11-15-24)27(33)25-26(20-8-12-23(32)13-9-20)31(17-16-30(2)3)29(35)28(25)34/h4-15,26,32,34H,16-18H2,1-3H3/t26-/m0/s1

InChI Key

LMWDVAPFJMHALB-SANMLTNESA-N

MDL Number (MFCD)

MFCD04008422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.023

Distribution Coefficient, logD

3.191

Water Solubility, LogSw

-4.12

Polar Surface Area

73.787

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

8.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

Y070-2105 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 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:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • 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 Y070-2105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-2105?
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What is the minimum amount of Y070-2105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-2105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-2105
  • 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 Y070-2105 available by request