Y041-6544 Screening compound: 2-{2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoic acid

Y041-6544 Screening compound: 2-{2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoic acid
Y041-6544 Screening compound: 2-{2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6544
2-{2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoic acid

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

Y041-6544

Molecular Formula

C19H23NO6S (C19 H23 NO6 S)

Compound Name

2-{2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoic acid

IUPAC name

(2S)-2-{2-[(34-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-4-(methylsulfanyl)butanoic acid

SMILES

CC(C(NC(CCSC)C(O)=O)=O)Oc(cc1)cc(O2)c1C(C)=C(C)C2=O

InChI

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

InChI Key

BVWNMKAVZYGDAX-CVRLYYSRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.416

Distribution Coefficient, logD

-2.202

Water Solubility, LogSw

-2.38

Polar Surface Area

80.673

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with Y041-6544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6544?
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What is the minimum amount of Y041-6544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6544
  • 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 Y041-6544 available by request