Y040-8248 Screening compound: 4-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}butanoic acid

Y040-8248 Screening compound: 4-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}butanoic acid
Y040-8248 Screening compound: 4-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8248
4-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}butanoic 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

Y040-8248

Molecular Formula

C18H21NO6 (C18 H21 NO6)

Compound Name

4-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}butanoic acid

IUPAC name

4-{2-[(4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamido}butanoic acid

SMILES

CCC(c(ccc(OCC(NCCCC(O)=O)=O)c1C)c1O1)=CC1=O

InChI

InChI=1S/C18H21NO6/c1-3-12-9-17(23)25-18-11(2)14(7-6-13(12)18)24-10-15(20)19-8-4-5-16(21)22/h6-7,9H,3-5,8,10H2,1-2H3,(H,19,20)(H,21,22)

InChI Key

MNJVXVXJNGHGDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04143993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.148

Distribution Coefficient, logD

-1.672

Water Solubility, LogSw

-2.38

Polar Surface Area

80.613

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

Y040-8248 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y040-8248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8248?
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What is the minimum amount of Y040-8248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8248
  • 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 Y040-8248 available by request