Y020-2772 Screening compound: 1-benzyl-3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}pyrrolidine-2,5-dione

Y020-2772 Screening compound: 1-benzyl-3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}pyrrolidine-2,5-dione
Y020-2772 Screening compound: 1-benzyl-3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-2772
1-benzyl-3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}pyrrolidine-2,5-dione

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

Y020-2772

Molecular Formula

C18H22N2O4 (C18 H22 N2 O4)

Compound Name

1-benzyl-3-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}pyrrolidine-2,5-dione

IUPAC name

1-benzyl-3-{14-dioxa-8-azaspiro[4.5]decan-8-yl}pyrrolidine-25-dione

SMILES

O=C(CC1N(CC2)CCC22OCCO2)N(Cc2ccccc2)C1=O

InChI

InChI=1S/C18H22N2O4/c21-16-12-15(17(22)20(16)13-14-4-2-1-3-5-14)19-8-6-18(7-9-19)23-10-11-24-18/h1-5,15H,6-13H2/t15-/m0/s1

InChI Key

WODBKMAIMSVGCB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08592575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.015

Distribution Coefficient, logD

1.013

Water Solubility, LogSw

-1.65

Polar Surface Area

47.036

Acid Dissociation Constant (pKa)

18.45

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

Y020-2772 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y020-2772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-2772?
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What is the minimum amount of Y020-2772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-2772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-2772
  • 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 Y020-2772 available by request