Y040-2381 Screening compound: 6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-2-phenylacetate

Y040-2381 Screening compound: 6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-2-phenylacetate
Y040-2381 Screening compound: 6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2381
6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-2-phenylacetate

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

Y040-2381

Molecular Formula

C27H25NO6S (C27 H25 NO6 S)

Compound Name

6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-2-phenylacetate

IUPAC name

6-ethyl-4-methyl-2-oxo-2H-chromen-7-yl (2S)-2-(4-methylbenzenesulfonamido)-2-phenylacetate

SMILES

CCc(cc(C(C)=CC(O1)=O)c1c1)c1OC(C(c1ccccc1)NS(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C27H25NO6S/c1-4-19-15-22-18(3)14-25(29)33-24(22)16-23(19)34-27(30)26(20-8-6-5-7-9-20)28-35(31,32)21-12-10-17(2)11-13-21/h5-16,26,28H,4H2,1-3H3/t26-/m1/s1

InChI Key

NRDMKTZRSXBNSY-AREMUKBSSA-N

MDL Number (MFCD)

MFCD03469478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.56

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

5.243

Distribution Coefficient, logD

5.242

Water Solubility, LogSw

-5.06

Polar Surface Area

82.434

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-7.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

Y040-2381 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with Y040-2381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2381?
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What is the minimum amount of Y040-2381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2381
  • 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 Y040-2381 available by request