6486-0057 Screening compound: 8-[(1E)-1-(hydroxyimino)ethyl]-4-methyl-9-phenyl-2H-furo[2,3-h]chromen-2-one

6486-0057 Screening compound: 8-[(1E)-1-(hydroxyimino)ethyl]-4-methyl-9-phenyl-2H-furo[2,3-h]chromen-2-one
6486-0057 Screening compound: 8-[(1E)-1-(hydroxyimino)ethyl]-4-methyl-9-phenyl-2H-furo[2,3-h]chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6486-0057
8-[(1E)-1-(hydroxyimino)ethyl]-4-methyl-9-phenyl-2H-furo[2,3-h]chromen-2-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

6486-0057

Molecular Formula

C20H15NO4 (C20 H15 NO4)

Compound Name

8-[(1E)-1-(hydroxyimino)ethyl]-4-methyl-9-phenyl-2H-furo[2,3-h]chromen-2-one

IUPAC name

8-[(1E)-1-(hydroxyimino)ethyl]-4-methyl-9-phenyl-2H-furo[23-h]chromen-2-one

SMILES

C/C(/c(oc(cc1)c2c(O3)c1C(C)=CC3=O)c2-c1ccccc1)=N\O

InChI

InChI=1S/C20H15NO4/c1-11-10-16(22)25-20-14(11)8-9-15-18(20)17(13-6-4-3-5-7-13)19(24-15)12(2)21-23/h3-10,23H,1-2H3

InChI Key

BJVVVJKLCSRCEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02916689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.144

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.68

Polar Surface Area

57.777

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

6486-0057 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6486-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6486-0057?
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What is the minimum amount of 6486-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6486-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6486-0057
  • 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 6486-0057 available by request