0685-0064 Screening compound: 6,8-dibromo-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-2-oxo-2H-chromene-3-carbohydrazide

0685-0064 Screening compound: 6,8-dibromo-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-2-oxo-2H-chromene-3-carbohydrazide
0685-0064 Screening compound: 6,8-dibromo-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-2-oxo-2H-chromene-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0685-0064
6,8-dibromo-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-2-oxo-2H-chromene-3-carbohydrazide

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

0685-0064

Molecular Formula

C21H12Br2N2O4 (C21 H12 Br2 N2 O4)

Compound Name

6,8-dibromo-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-2-oxo-2H-chromene-3-carbohydrazide

IUPAC name

68-dibromo-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-2-oxo-2H-chromene-3-carbohydrazide

SMILES

Oc1c(/C=N/NC(C2=Cc3cc(Br)cc(Br)c3OC2=O)=O)c2ccccc2cc1

InChI

InChI=1S/C21H12Br2N2O4/c22-13-7-12-8-15(21(28)29-19(12)17(23)9-13)20(27)25-24-10-16-14-4-2-1-3-11(14)5-6-18(16)26/h1-10,26H,(H,25,27)

InChI Key

ACWBOBFBETUGIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.15

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.604

Distribution Coefficient, logD

5.468

Water Solubility, LogSw

-6.68

Polar Surface Area

72.437

Acid Dissociation Constant (pKa)

7.83

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0685-0064 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0685-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0685-0064?
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What is the minimum amount of 0685-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0685-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0685-0064
  • 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 0685-0064 available by request