Y041-8135 Screening compound: 2-{1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-[(pyridin-2-yl)methyl]acetamide

Y041-8135 Screening compound: 2-{1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-[(pyridin-2-yl)methyl]acetamide
Y041-8135 Screening compound: 2-{1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-[(pyridin-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8135
2-{1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-[(pyridin-2-yl)methyl]acetamide

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

Y041-8135

Molecular Formula

C17H22N4O3 (C17 H22 N4 O3)

Compound Name

2-{1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-[(pyridin-2-yl)methyl]acetamide

IUPAC name

2-{1-methyl-24-dioxo-13-diazaspiro[4.5]decan-3-yl}-N-[(pyridin-2-yl)methyl]acetamide

SMILES

CN(C1(CCCCC1)C(N1CC(NCc2ncccc2)=O)=O)C1=O

InChI

InChI=1S/C17H22N4O3/c1-20-16(24)21(15(23)17(20)8-4-2-5-9-17)12-14(22)19-11-13-7-3-6-10-18-13/h3,6-7,10H,2,4-5,8-9,11-12H2,1H3,(H,19,22)

InChI Key

GGIYKFHCLRQIKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15644835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.142

Distribution Coefficient, logD

1.141

Water Solubility, LogSw

-2.05

Polar Surface Area

66.245

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

Y041-8135 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y041-8135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8135?
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What is the minimum amount of Y041-8135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8135
  • 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 Y041-8135 available by request