Y041-3150 Screening compound: 3-{4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}-N-[(4-sulfamoylphenyl)methyl]propanamide

Y041-3150 Screening compound: 3-{4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}-N-[(4-sulfamoylphenyl)methyl]propanamide
Y041-3150 Screening compound: 3-{4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}-N-[(4-sulfamoylphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3150
3-{4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}-N-[(4-sulfamoylphenyl)methyl]propanamide

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

Y041-3150

Molecular Formula

C25H28N2O6S (C25 H28 N2 O6 S)

Compound Name

3-{4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}-N-[(4-sulfamoylphenyl)methyl]propanamide

IUPAC name

3-{48-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-2-oxo-2H-chromen-3-yl}-N-[(4-sulfamoylphenyl)methyl]propanamide

SMILES

CC(COc(cc1)c(C)c(O2)c1C(C)=C(CCC(NCc(cc1)ccc1S(N)(=O)=O)=O)C2=O)=C

InChI

InChI=1S/C25H28N2O6S/c1-15(2)14-32-22-11-9-20-16(3)21(25(29)33-24(20)17(22)4)10-12-23(28)27-13-18-5-7-19(8-6-18)34(26,30)31/h5-9,11H,1,10,12-14H2,2-4H3,(H,27,28)(H2,26,30,31)

InChI Key

RXXHELSMNOEFNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12199395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.137

Distribution Coefficient, logD

3.136

Water Solubility, LogSw

-3.56

Polar Surface Area

103.233

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

Y041-3150 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-3150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3150?
Check Price and Availability of Y041-3150, 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 Y041-3150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3150
  • 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 Y041-3150 available by request