Y041-4686 Screening compound: 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-2-phenylacetate

Y041-4686 Screening compound: 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-2-phenylacetate
Y041-4686 Screening compound: 6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4686
6-chloro-2-oxo-4-phenyl-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

Y041-4686

Molecular Formula

C30H22ClNO6S (C30 H22 ClNO6 S)

Compound Name

6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-2-phenylacetate

IUPAC name

6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl (2R)-2-(4-methylbenzenesulfonamido)-2-phenylacetate

SMILES

Cc(cc1)ccc1S(NC(C(Oc(cc(c(C(c1ccccc1)=C1)c2)OC1=O)c2Cl)=O)c1ccccc1)(=O)=O

InChI

InChI=1S/C30H22ClNO6S/c1-19-12-14-22(15-13-19)39(35,36)32-29(21-10-6-3-7-11-21)30(34)38-27-18-26-24(16-25(27)31)23(17-28(33)37-26)20-8-4-2-5-9-20/h2-18,29,32H,1H3/t29-/m1/s1

InChI Key

RCCVGXXPTWBNRF-GDLZYMKVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.03

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

5.952

Distribution Coefficient, logD

5.951

Water Solubility, LogSw

-6.04

Polar Surface Area

82.162

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-9.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with Y041-4686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4686?
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What is the minimum amount of Y041-4686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4686
  • 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 Y041-4686 available by request