Y041-0539 Screening compound: 4,8,8-trimethyl-5-[2-(morpholin-4-yl)-2-oxoethoxy]-2H,8H,9H,10H-pyrano[2,3-h]chromen-2-one

Y041-0539 Screening compound: 4,8,8-trimethyl-5-[2-(morpholin-4-yl)-2-oxoethoxy]-2H,8H,9H,10H-pyrano[2,3-h]chromen-2-one
Y041-0539 Screening compound: 4,8,8-trimethyl-5-[2-(morpholin-4-yl)-2-oxoethoxy]-2H,8H,9H,10H-pyrano[2,3-h]chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0539
4,8,8-trimethyl-5-[2-(morpholin-4-yl)-2-oxoethoxy]-2H,8H,9H,10H-pyrano[2,3-h]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

Y041-0539

Molecular Formula

C21H25NO6 (C21 H25 NO6)

Compound Name

4,8,8-trimethyl-5-[2-(morpholin-4-yl)-2-oxoethoxy]-2H,8H,9H,10H-pyrano[2,3-h]chromen-2-one

IUPAC name

488-trimethyl-5-[2-(morpholin-4-yl)-2-oxoethoxy]-2H8H9H10H-pyrano[23-h]chromen-2-one

SMILES

CC(C)(CC1)Oc2c1c(OC(C=C1C)=O)c1c(OCC(N1CCOCC1)=O)c2

InChI

InChI=1S/C21H25NO6/c1-13-10-18(24)27-20-14-4-5-21(2,3)28-15(14)11-16(19(13)20)26-12-17(23)22-6-8-25-9-7-22/h10-11H,4-9,12H2,1-3H3

InChI Key

UTCDCXNTTAPJQM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.020

Distribution Coefficient, logD

2.020

Water Solubility, LogSw

-2.42

Polar Surface Area

58.278

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

Y041-0539 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0539?
Check Price and Availability of Y041-0539, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0539
  • 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 Y041-0539 available by request