Y041-2452 Screening compound: 3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate

Y041-2452 Screening compound: 3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate
Y041-2452 Screening compound: 3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2452
3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate

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

Y041-2452

Molecular Formula

C26H21Cl2NO6S (C26 H21 Cl2 NO6 S)

Compound Name

3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate

IUPAC name

36-dichloro-4-methyl-2-oxo-2H-chromen-7-yl (2S)-2-(4-methylbenzenesulfonamido)-3-phenylpropanoate

SMILES

Cc(cc1)ccc1S(NC(Cc1ccccc1)C(Oc(c(Cl)c1)cc(OC2=O)c1C(C)=C2Cl)=O)(=O)=O

InChI

InChI=1S/C26H21Cl2NO6S/c1-15-8-10-18(11-9-15)36(32,33)29-21(12-17-6-4-3-5-7-17)25(30)35-23-14-22-19(13-20(23)27)16(2)24(28)26(31)34-22/h3-11,13-14,21,29H,12H2,1-2H3/t21-/m0/s1

InChI Key

BDTRSVYPWRFDQD-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02669406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.021

Distribution Coefficient, logD

6.021

Water Solubility, LogSw

-6.02

Polar Surface Area

83.227

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-9.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with Y041-2452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2452?
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What is the minimum amount of Y041-2452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2452
  • 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 Y041-2452 available by request