Y041-1544 Screening compound: 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)hexanoate

Y041-1544 Screening compound: 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)hexanoate
Y041-1544 Screening compound: 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1544
3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)hexanoate

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

Y041-1544

Molecular Formula

C30H31NO6S (C30 H31 NO6 S)

Compound Name

3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)hexanoate

IUPAC name

3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)hexanoate

SMILES

CCCCC(C(Oc(cc1)cc(O2)c1C(C)=C(Cc1ccccc1)C2=O)=O)NS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C30H31NO6S/c1-4-5-11-27(31-38(34,35)24-15-12-20(2)13-16-24)30(33)36-23-14-17-25-21(3)26(29(32)37-28(25)19-23)18-22-9-7-6-8-10-22/h6-10,12-17,19,27,31H,4-5,11,18H2,1-3H3/t27-/m0/s1

InChI Key

UWIICOXDUYWSKY-MHZLTWQESA-N

MDL Number (MFCD)

MFCD06764088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.65

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.733

Distribution Coefficient, logD

6.733

Water Solubility, LogSw

-5.75

Polar Surface Area

83.140

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-8.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with Y041-1544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1544?
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What is the minimum amount of Y041-1544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1544
  • 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 Y041-1544 available by request