Y040-8377 Screening compound: 2-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-phenylpropanoic acid

Y040-8377 Screening compound: 2-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-phenylpropanoic acid
Y040-8377 Screening compound: 2-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8377
2-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-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

Y040-8377

Molecular Formula

C30H29NO6 (C30 H29 NO6)

Compound Name

2-{2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-phenylpropanoic acid

IUPAC name

(2S)-2-{2-[(3-benzyl-48-dimethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-phenylpropanoic acid

SMILES

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

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.221

Distribution Coefficient, logD

0.630

Water Solubility, LogSw

-4.43

Polar Surface Area

79.900

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.30

Y040-8377 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-8377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8377?
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What is the minimum amount of Y040-8377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8377
  • 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 Y040-8377 available by request