Y041-1491 Screening compound: methyl 2-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoate

Y041-1491 Screening compound: methyl 2-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoate
Y041-1491 Screening compound: methyl 2-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1491
methyl 2-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)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

Y041-1491

Molecular Formula

C19H23NO6S (C19 H23 NO6 S)

Compound Name

methyl 2-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoate

IUPAC name

methyl (2S)-2-{2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoate

SMILES

CC(C(NC(CCSC)C(OC)=O)=O)Oc(cc1)cc(O2)c1C(C)=CC2=O

InChI

InChI=1S/C19H23NO6S/c1-11-9-17(21)26-16-10-13(5-6-14(11)16)25-12(2)18(22)20-15(7-8-27-4)19(23)24-3/h5-6,9-10,12,15H,7-8H2,1-4H3,(H,20,22)/t12?,15-/m0/s1

InChI Key

HJWZHEQPDUXAHJ-CVRLYYSRSA-N

MDL Number (MFCD)

MFCD01546585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.46

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

1.717

Distribution Coefficient, logD

1.717

Water Solubility, LogSw

-2.60

Polar Surface Area

72.924

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

Y041-1491 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with Y041-1491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1491?
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What is the minimum amount of Y041-1491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1491
  • 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 Y041-1491 available by request