K048-0083 Screening compound: 2-[(E)-[(2,3-dihydro-1,4-benzodioxin-6-yl)imino]methyl]-6-methoxyphenol

K048-0083 Screening compound: 2-[(E)-[(2,3-dihydro-1,4-benzodioxin-6-yl)imino]methyl]-6-methoxyphenol
K048-0083 Screening compound: 2-[(E)-[(2,3-dihydro-1,4-benzodioxin-6-yl)imino]methyl]-6-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound K048-0083
2-[(E)-[(2,3-dihydro-1,4-benzodioxin-6-yl)imino]methyl]-6-methoxyphenol

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

K048-0083

Molecular Formula

C16H15NO4 (C16 H15 NO4)

Compound Name

2-[(E)-[(2,3-dihydro-1,4-benzodioxin-6-yl)imino]methyl]-6-methoxyphenol

IUPAC name

2-[(E)-[(23-dihydro-14-benzodioxin-6-yl)imino]methyl]-6-methoxyphenol

SMILES

COc1cccc(/C=N/c(cc2)cc3c2OCCO3)c1O

InChI

InChI=1S/C16H15NO4/c1-19-14-4-2-3-11(16(14)18)10-17-12-5-6-13-15(9-12)21-8-7-20-13/h2-6,9-10,18H,7-8H2,1H3

InChI Key

IIJBMHBXGVHQNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.268

Distribution Coefficient, logD

2.189

Water Solubility, LogSw

-2.26

Polar Surface Area

47.299

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

5.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

K048-0083 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 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 K048-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K048-0083?
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What is the minimum amount of K048-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K048-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K048-0083
  • 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 K048-0083 available by request