Y040-8827 Screening compound: 2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-(dimethylamino)ethyl]acetamide

Y040-8827 Screening compound: 2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-(dimethylamino)ethyl]acetamide
Y040-8827 Screening compound: 2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-(dimethylamino)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8827
2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-(dimethylamino)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

Y040-8827

Molecular Formula

C20H28N2O4 (C20 H28 N2 O4)

Compound Name

2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-(dimethylamino)ethyl]acetamide

IUPAC name

2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-(dimethylamino)ethyl]acetamide

SMILES

CCCCC(c(ccc(OCC(NCCN(C)C)=O)c1C)c1O1)=CC1=O

InChI

InChI=1S/C20H28N2O4/c1-5-6-7-15-12-19(24)26-20-14(2)17(9-8-16(15)20)25-13-18(23)21-10-11-22(3)4/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,21,23)

InChI Key

OHNPTBGPXBQAAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08285805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.602

Distribution Coefficient, logD

1.023

Water Solubility, LogSw

-3.30

Polar Surface Area

56.094

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y040-8827 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-8827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8827?
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What is the minimum amount of Y040-8827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8827
  • 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 Y040-8827 available by request