8019-6197 Screening compound: 5-(4,6-dibromo-7-methoxy-2H-1,3-benzodioxol-5-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-4-methyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide

8019-6197 Screening compound: 5-(4,6-dibromo-7-methoxy-2H-1,3-benzodioxol-5-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-4-methyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
8019-6197 Screening compound: 5-(4,6-dibromo-7-methoxy-2H-1,3-benzodioxol-5-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-4-methyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6197
5-(4,6-dibromo-7-methoxy-2H-1,3-benzodioxol-5-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-4-methyl-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

8019-6197

Molecular Formula

C20H16Br2FN3O5 (C20 H16 Br2 FN3 O5)

Compound Name

5-(4,6-dibromo-7-methoxy-2H-1,3-benzodioxol-5-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-4-methyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide

IUPAC name

5-(46-dibromo-7-methoxy-2H-13-benzodioxol-5-yl)-N'-[(E)-(4-fluorophenyl)methylidene]-4-methyl-45-dihydro-12-oxazole-3-carbohydrazide

SMILES

CC1C(C(N/N=C/c(cc2)ccc2F)=O)=NOC1c(c(Br)c(c1c2OCO1)OC)c2Br

InChI

InChI=1S/C20H16Br2FN3O5/c1-9-15(20(27)25-24-7-10-3-5-11(23)6-4-10)26-31-16(9)12-13(21)17(28-2)19-18(14(12)22)29-8-30-19/h3-7,9,16H,8H2,1-2H3,(H,25,27)

InChI Key

ZXVPZHVAYGMDRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.17

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.868

Distribution Coefficient, logD

4.845

Water Solubility, LogSw

-4.57

Polar Surface Area

82.162

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8019-6197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6197?
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What is the minimum amount of 8019-6197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6197
  • 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 8019-6197 available by request