8019-7216 Screening compound: 5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-N'-[(E)-(2-fluorophenyl)methylidene]-4,5-dihydro-1,2-oxazole-3-carbohydrazide

8019-7216 Screening compound: 5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-N'-[(E)-(2-fluorophenyl)methylidene]-4,5-dihydro-1,2-oxazole-3-carbohydrazide
8019-7216 Screening compound: 5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-N'-[(E)-(2-fluorophenyl)methylidene]-4,5-dihydro-1,2-oxazole-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7216
5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-N'-[(E)-(2-fluorophenyl)methylidene]-4,5-dihydro-1,2-oxazole-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

8019-7216

Molecular Formula

C21H20FN3O6 (C21 H20 FN3 O6)

Compound Name

5-[(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-N'-[(E)-(2-fluorophenyl)methylidene]-4,5-dihydro-1,2-oxazole-3-carbohydrazide

IUPAC name

5-[(47-dimethoxy-2H-13-benzodioxol-5-yl)methyl]-N'-[(E)-(2-fluorophenyl)methylidene]-45-dihydro-12-oxazole-3-carbohydrazide

SMILES

COc(c1c2OCO1)cc(CC(C1)ON=C1C(N/N=C/c(cccc1)c1F)=O)c2OC

InChI

InChI=1S/C21H20FN3O6/c1-27-17-8-13(18(28-2)20-19(17)29-11-30-20)7-14-9-16(25-31-14)21(26)24-23-10-12-5-3-4-6-15(12)22/h3-6,8,10,14H,7,9,11H2,1-2H3,(H,24,26)/t14-/m1/s1

InChI Key

YGAITDXMDQEFJT-CQSZACIVSA-N

MDL Number (MFCD)

MFCD10039191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.633

Distribution Coefficient, logD

3.397

Water Solubility, LogSw

-3.88

Polar Surface Area

90.222

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

-6.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 8019-7216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7216?
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What is the minimum amount of 8019-7216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7216
  • 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 8019-7216 available by request