Y041-0582 Screening compound: 2,3,5,9-tetramethyl-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-7H-furo[3,2-g]chromen-7-one

Y041-0582 Screening compound: 2,3,5,9-tetramethyl-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-7H-furo[3,2-g]chromen-7-one
Y041-0582 Screening compound: 2,3,5,9-tetramethyl-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-7H-furo[3,2-g]chromen-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0582
2,3,5,9-tetramethyl-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-7H-furo[3,2-g]chromen-7-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

Y041-0582

Molecular Formula

C22H25NO4S (C22 H25 NO4 S)

Compound Name

2,3,5,9-tetramethyl-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-7H-furo[3,2-g]chromen-7-one

IUPAC name

2359-tetramethyl-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-7H-furo[32-g]chromen-7-one

SMILES

Cc(c1c2)c(C)oc1c(C)c(O1)c2C(C)=C(CCC(N2CCSCC2)=O)C1=O

InChI

InChI=1S/C22H25NO4S/c1-12-15(4)26-20-14(3)21-18(11-17(12)20)13(2)16(22(25)27-21)5-6-19(24)23-7-9-28-10-8-23/h11H,5-10H2,1-4H3

InChI Key

BDVOHBPOSHOMEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16622400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.616

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-3.92

Polar Surface Area

45.146

Acid Dissociation Constant (pKa)

23.86

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

Y041-0582 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0582?
Check Price and Availability of Y041-0582, 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 Y041-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0582
  • 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 Y041-0582 available by request