3338-3045 Screening compound: 2-[(2E)-1-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dihydro-1H-indene-1,3-dione

3338-3045 Screening compound: 2-[(2E)-1-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dihydro-1H-indene-1,3-dione
3338-3045 Screening compound: 2-[(2E)-1-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dihydro-1H-indene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-3045
2-[(2E)-1-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dihydro-1H-indene-1,3-dione

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

3338-3045

Molecular Formula

C19H14O4 (C19 H14 O4)

Compound Name

2-[(2E)-1-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dihydro-1H-indene-1,3-dione

IUPAC name

2-[(2E)-1-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-ylidene]-23-dihydro-1H-indene-13-dione

SMILES

COc1ccc(/C=C/C(O)=C(C(c2c3cccc2)=O)C3=O)cc1

InChI

InChI=1S/C19H14O4/c1-23-13-9-6-12(7-10-13)8-11-16(20)17-18(21)14-4-2-3-5-15(14)19(17)22/h2-11,20H,1H3

InChI Key

ZWWBLXSZIVBASF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.487

Distribution Coefficient, logD

3.487

Water Solubility, LogSw

-3.66

Polar Surface Area

51.108

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

3338-3045 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3338-3045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-3045?
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What is the minimum amount of 3338-3045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-3045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-3045
  • 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 3338-3045 available by request