Y040-5266 Screening compound: 2-{1'-acetyl-4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidin]-7-yloxy}-N-[2-(4-fluorophenyl)ethyl]acetamide

Y040-5266 Screening compound: 2-{1'-acetyl-4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidin]-7-yloxy}-N-[2-(4-fluorophenyl)ethyl]acetamide
Y040-5266 Screening compound: 2-{1'-acetyl-4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidin]-7-yloxy}-N-[2-(4-fluorophenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5266
2-{1'-acetyl-4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidin]-7-yloxy}-N-[2-(4-fluorophenyl)ethyl]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

Y040-5266

Molecular Formula

C25H27FN2O5 (C25 H27 FN2 O5)

Compound Name

2-{1'-acetyl-4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidin]-7-yloxy}-N-[2-(4-fluorophenyl)ethyl]acetamide

IUPAC name

2-{1'-acetyl-4-oxo-34-dihydrospiro[1-benzopyran-24'-piperidin]-7-yloxy}-N-[2-(4-fluorophenyl)ethyl]acetamide

SMILES

CC(N(CC1)CCC1(C1)Oc(cc(cc2)OCC(NCCc(cc3)ccc3F)=O)c2C1=O)=O

InChI

InChI=1S/C25H27FN2O5/c1-17(29)28-12-9-25(10-13-28)15-22(30)21-7-6-20(14-23(21)33-25)32-16-24(31)27-11-8-18-2-4-19(26)5-3-18/h2-7,14H,8-13,15-16H2,1H3,(H,27,31)

InChI Key

PRJITOTWRRWJHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18160635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.762

Distribution Coefficient, logD

1.762

Water Solubility, LogSw

-2.59

Polar Surface Area

67.958

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y040-5266 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 Y040-5266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5266?
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What is the minimum amount of Y040-5266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5266
  • 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 Y040-5266 available by request