1501-1487 Screening compound: ethyl (2E)-2-[(4-chlorophenyl)methylidene]-3-oxobutanoate

1501-1487 Screening compound: ethyl (2E)-2-[(4-chlorophenyl)methylidene]-3-oxobutanoate
1501-1487 Screening compound: ethyl (2E)-2-[(4-chlorophenyl)methylidene]-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1501-1487
ethyl (2E)-2-[(4-chlorophenyl)methylidene]-3-oxobutanoate

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

1501-1487

Molecular Formula

C13H13ClO3 (C13 H13 ClO3)

Compound Name

ethyl (2E)-2-[(4-chlorophenyl)methylidene]-3-oxobutanoate

IUPAC name

ethyl (2E)-2-[(4-chlorophenyl)methylidene]-3-oxobutanoate

SMILES

CCOC(/C(/C(C)=O)=C/c(cc1)ccc1Cl)=O

InChI

InChI=1S/C13H13ClO3/c1-3-17-13(16)12(9(2)15)8-10-4-6-11(14)7-5-10/h4-8H,3H2,1-2H3

InChI Key

SGLZOEHATVEHGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00858200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.973

Distribution Coefficient, logD

2.973

Water Solubility, LogSw

-3.47

Polar Surface Area

34.819

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

1501-1487 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1501-1487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1501-1487?
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What is the minimum amount of 1501-1487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1501-1487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1501-1487
  • 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 1501-1487 available by request