Y040-0759 Screening compound: 3-methyl-1-[2-(morpholin-4-yl)-2-oxoethoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

Y040-0759 Screening compound: 3-methyl-1-[2-(morpholin-4-yl)-2-oxoethoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one
Y040-0759 Screening compound: 3-methyl-1-[2-(morpholin-4-yl)-2-oxoethoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0759
3-methyl-1-[2-(morpholin-4-yl)-2-oxoethoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-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

Y040-0759

Molecular Formula

C20H23NO5 (C20 H23 NO5)

Compound Name

3-methyl-1-[2-(morpholin-4-yl)-2-oxoethoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

IUPAC name

3-methyl-1-[2-(morpholin-4-yl)-2-oxoethoxy]-6H7H8H9H10H-cyclohexa[c]chromen-6-one

SMILES

Cc1cc(OC(C2=C3CCCC2)=O)c3c(OCC(N2CCOCC2)=O)c1

InChI

InChI=1S/C20H23NO5/c1-13-10-16(25-12-18(22)21-6-8-24-9-7-21)19-14-4-2-3-5-15(14)20(23)26-17(19)11-13/h10-11H,2-9,12H2,1H3

InChI Key

WXJVLHRDGUBRON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03657652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.495

Distribution Coefficient, logD

2.495

Water Solubility, LogSw

-2.51

Polar Surface Area

52.696

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y040-0759 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 Y040-0759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0759?
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What is the minimum amount of Y040-0759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0759
  • 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 Y040-0759 available by request