Y040-0989 Screening compound: 6-chloro-7-[2-(morpholin-4-yl)-2-oxoethoxy]-4-phenyl-2H-chromen-2-one

Y040-0989 Screening compound: 6-chloro-7-[2-(morpholin-4-yl)-2-oxoethoxy]-4-phenyl-2H-chromen-2-one
Y040-0989 Screening compound: 6-chloro-7-[2-(morpholin-4-yl)-2-oxoethoxy]-4-phenyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0989
6-chloro-7-[2-(morpholin-4-yl)-2-oxoethoxy]-4-phenyl-2H-chromen-2-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

Y040-0989

Molecular Formula

C21H18ClNO5 (C21 H18 ClNO5)

Compound Name

6-chloro-7-[2-(morpholin-4-yl)-2-oxoethoxy]-4-phenyl-2H-chromen-2-one

IUPAC name

6-chloro-7-[2-(morpholin-4-yl)-2-oxoethoxy]-4-phenyl-2H-chromen-2-one

SMILES

O=C(COc(cc(c(C(c1ccccc1)=C1)c2)OC1=O)c2Cl)N1CCOCC1

InChI

InChI=1S/C21H18ClNO5/c22-17-10-16-15(14-4-2-1-3-5-14)11-21(25)28-18(16)12-19(17)27-13-20(24)23-6-8-26-9-7-23/h1-5,10-12H,6-9,13H2

InChI Key

DNMJNSPDWFPRMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03483666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.614

Distribution Coefficient, logD

2.614

Water Solubility, LogSw

-3.73

Polar Surface Area

51.989

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

Y040-0989 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 Y040-0989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0989?
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What is the minimum amount of Y040-0989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0989
  • 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 Y040-0989 available by request