2130-0008 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-bromo-4-fluorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

2130-0008 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-bromo-4-fluorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
2130-0008 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-bromo-4-fluorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2130-0008
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-bromo-4-fluorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-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

2130-0008

Molecular Formula

C18H12BrFN8O2 (C18 H12 BrFN8 O2)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-bromo-4-fluorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-(3-bromo-4-fluorophenyl)methylidene]-5-phenyl-1H-123-triazole-4-carbohydrazide

SMILES

Nc1nonc1-n1nnc(C(N/N=C/c(cc2)cc(Br)c2F)=O)c1-c1ccccc1

InChI

InChI=1S/C18H12BrFN8O2/c19-12-8-10(6-7-13(12)20)9-22-24-18(29)14-15(11-4-2-1-3-5-11)28(27-23-14)17-16(21)25-30-26-17/h1-9H,(H2,21,25)(H,24,29)

InChI Key

VPTUMAFPCVLRIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01198887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.296

Distribution Coefficient, logD

3.293

Water Solubility, LogSw

-3.66

Polar Surface Area

117.403

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2130-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2130-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2130-0008
  • 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 2130-0008 available by request