1310-0133 Screening compound: (3E)-3-[(4-methoxyphenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one

1310-0133 Screening compound: (3E)-3-[(4-methoxyphenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one
1310-0133 Screening compound: (3E)-3-[(4-methoxyphenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1310-0133
(3E)-3-[(4-methoxyphenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one

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

1310-0133

Molecular Formula

C17H14O3 (C17 H14 O3)

Compound Name

(3E)-3-[(4-methoxyphenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one

IUPAC name

(3E)-3-[(4-methoxyphenyl)methylidene]-34-dihydro-2H-1-benzopyran-4-one

SMILES

COc1ccc(/C=C(\COc2c3cccc2)/C3=O)cc1

InChI

InChI=1S/C17H14O3/c1-19-14-8-6-12(7-9-14)10-13-11-20-16-5-3-2-4-15(16)17(13)18/h2-10H,11H2,1H3

InChI Key

QTMKMLMMSDDCIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00489723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.468

Distribution Coefficient, logD

3.468

Water Solubility, LogSw

-3.92

Polar Surface Area

29.027

Acid Dissociation Constant (pKa)

31.45

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

1310-0133 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1310-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1310-0133?
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What is the minimum amount of 1310-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1310-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1310-0133
  • 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 1310-0133 available by request