Y070-3859 Screening compound: 4-[4-(benzyloxy)benzoyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one

Y070-3859 Screening compound: 4-[4-(benzyloxy)benzoyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one
Y070-3859 Screening compound: 4-[4-(benzyloxy)benzoyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3859
4-[4-(benzyloxy)benzoyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(thiophen-2-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

Y070-3859

Molecular Formula

C28H30N2O4S (C28 H30 N2 O4 S)

Compound Name

4-[4-(benzyloxy)benzoyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-[4-(benzyloxy)benzoyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(thiophen-2-yl)-25-dihydro-1H-pyrrol-2-one

SMILES

CCN(CC)CCN(C(c1cccs1)C(C(c(cc1)ccc1OCc1ccccc1)=O)=C1O)C1=O

InChI

InChI=1S/C28H30N2O4S/c1-3-29(4-2)16-17-30-25(23-11-8-18-35-23)24(27(32)28(30)33)26(31)21-12-14-22(15-13-21)34-19-20-9-6-5-7-10-20/h5-15,18,25,32H,3-4,16-17,19H2,1-2H3/t25-/m0/s1

InChI Key

WYDQJZOMGTYJIK-VWLOTQADSA-N

MDL Number (MFCD)

MFCD04185637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.493

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-4.24

Polar Surface Area

56.734

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

8.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

Y070-3859 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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:
  • 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 Y070-3859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3859?
Check Price and Availability of Y070-3859, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y070-3859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3859
  • 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 Y070-3859 available by request