Y040-4438 Screening compound: 2-[2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]butanoic acid

Y040-4438 Screening compound: 2-[2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]butanoic acid
Y040-4438 Screening compound: 2-[2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4438
2-[2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)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

Y040-4438

Molecular Formula

C17H19NO6 (C17 H19 NO6)

Compound Name

2-[2-(5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]butanoic acid

IUPAC name

2-[2-(5-hydroxy-47-dimethyl-2-oxo-2H-chromen-3-yl)acetamido]butanoic acid

SMILES

CCC(C(O)=O)NC(CC1=C(C)c(c(O)cc(C)c2)c2OC1=O)=O

InChI

InChI=1S/C17H19NO6/c1-4-11(16(21)22)18-14(20)7-10-9(3)15-12(19)5-8(2)6-13(15)24-17(10)23/h5-6,11,19H,4,7H2,1-3H3,(H,18,20)(H,21,22)/t11-/m0/s1

InChI Key

ONHYJFDFHCXDJS-NSHDSACASA-N

MDL Number (MFCD)

MFCD05674474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.290

Distribution Coefficient, logD

-2.327

Water Solubility, LogSw

-1.57

Polar Surface Area

90.218

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

Y040-4438 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-4438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4438?
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What is the minimum amount of Y040-4438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4438
  • 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 Y040-4438 available by request