Y042-9326 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate

Y042-9326 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate
Y042-9326 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-9326
3-benzyl-4,8-dimethyl-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

Y042-9326

Molecular Formula

C34H31NO6S (C34 H31 NO6 S)

Compound Name

3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate

IUPAC name

3-benzyl-48-dimethyl-2-oxo-2H-chromen-7-yl (2S)-2-(4-methylbenzenesulfonamido)-3-phenylpropanoate

SMILES

Cc(cc1)ccc1S(NC(Cc1ccccc1)C(Oc(cc1)c(C)c(O2)c1C(C)=C(Cc1ccccc1)C2=O)=O)(=O)=O

InChI

InChI=1S/C34H31NO6S/c1-22-14-16-27(17-15-22)42(38,39)35-30(21-26-12-8-5-9-13-26)34(37)40-31-19-18-28-23(2)29(20-25-10-6-4-7-11-25)33(36)41-32(28)24(31)3/h4-19,30,35H,20-21H2,1-3H3/t30-/m0/s1

InChI Key

IPSCHPPRKWYJMT-PMERELPUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.69

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.043

Distribution Coefficient, logD

7.043

Water Solubility, LogSw

-5.81

Polar Surface Area

82.639

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with Y042-9326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-9326?
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What is the minimum amount of Y042-9326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-9326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-9326
  • 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 Y042-9326 available by request