Y041-3594 Screening compound: 4-[(3-chlorophenyl)methoxy]-3-methoxybenzaldehyde

Y041-3594 Screening compound: 4-[(3-chlorophenyl)methoxy]-3-methoxybenzaldehyde
Y041-3594 Screening compound: 4-[(3-chlorophenyl)methoxy]-3-methoxybenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3594
4-[(3-chlorophenyl)methoxy]-3-methoxybenzaldehyde

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

Y041-3594

Molecular Formula

C15H13ClO3 (C15 H13 ClO3)

Compound Name

4-[(3-chlorophenyl)methoxy]-3-methoxybenzaldehyde

IUPAC name

4-[(3-chlorophenyl)methoxy]-3-methoxybenzaldehyde

SMILES

COc(cc(C=O)cc1)c1OCc1cccc(Cl)c1

InChI

InChI=1S/C15H13ClO3/c1-18-15-8-11(9-17)5-6-14(15)19-10-12-3-2-4-13(16)7-12/h2-9H,10H2,1H3

InChI Key

ZKWDJZYQDNHQDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02255723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.72

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

3.525

Water Solubility, LogSw

-3.69

Polar Surface Area

29.342

Acid Dissociation Constant (pKa)

29.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

Y041-3594 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Lipid Metabolism Library (9174 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-3594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3594?
Check Price and Availability of Y041-3594, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-3594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3594
  • 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 Y041-3594 available by request