Y040-8302 Screening compound: 2-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-3-phenylpropanoic acid

Y040-8302 Screening compound: 2-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-3-phenylpropanoic acid
Y040-8302 Screening compound: 2-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8302
2-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-3-phenylpropanoic acid

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

Y040-8302

Molecular Formula

C25H27NO6 (C25 H27 NO6)

Compound Name

2-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-3-phenylpropanoic acid

IUPAC name

(2S)-2-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}-3-phenylpropanoic acid

SMILES

CCCCC(c(ccc(OCC(NC(Cc1ccccc1)C(O)=O)=O)c1C)c1O1)=CC1=O

InChI

InChI=1S/C25H27NO6/c1-3-4-10-18-14-23(28)32-24-16(2)21(12-11-19(18)24)31-15-22(27)26-20(25(29)30)13-17-8-6-5-7-9-17/h5-9,11-12,14,20H,3-4,10,13,15H2,1-2H3,(H,26,27)(H,29,30)/t20-/m0/s1

InChI Key

JCUJHHAQRQYQRF-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.261

Distribution Coefficient, logD

-0.329

Water Solubility, LogSw

-3.52

Polar Surface Area

80.154

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with Y040-8302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8302?
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What is the minimum amount of Y040-8302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8302
  • 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 Y040-8302 available by request