Y041-4826 Screening compound: methyl 4-(methylsulfanyl)-2-(3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamido)butanoate

Y041-4826 Screening compound: methyl 4-(methylsulfanyl)-2-(3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamido)butanoate
Y041-4826 Screening compound: methyl 4-(methylsulfanyl)-2-(3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamido)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4826
methyl 4-(methylsulfanyl)-2-(3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamido)butanoate

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

Y041-4826

Molecular Formula

C23H27NO6S (C23 H27 NO6 S)

Compound Name

methyl 4-(methylsulfanyl)-2-(3-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamido)butanoate

IUPAC name

methyl (2S)-4-(methylsulfanyl)-2-(3-{359-trimethyl-7-oxo-7H-furo[32-g]chromen-6-yl}propanamido)butanoate

SMILES

Cc(c1c2)coc1c(C)c(O1)c2C(C)=C(CCC(NC(CCSC)C(OC)=O)=O)C1=O

InChI

InChI=1S/C23H27NO6S/c1-12-11-29-20-14(3)21-17(10-16(12)20)13(2)15(22(26)30-21)6-7-19(25)24-18(8-9-31-5)23(27)28-4/h10-11,18H,6-9H2,1-5H3,(H,24,25)/t18-/m0/s1

InChI Key

GSDAULLTINYRGA-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

3.258

Water Solubility, LogSw

-3.55

Polar Surface Area

75.913

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

Y041-4826 in Drug Discovery

Included in Screening Libraries

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 Y041-4826 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4826?
Check Price and Availability of Y041-4826, 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 Y041-4826 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4826
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4826
  • 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 Y041-4826 available by request