1452-4846 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-fluorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

1452-4846 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-fluorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
1452-4846 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-fluorophenyl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1452-4846
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-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

1452-4846

Molecular Formula

C18H13FN8O2 (C18 H13 FN8 O2)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-(2-fluorophenyl)methylidene]-5-phenyl-1H-123-triazole-4-carbohydrazide

SMILES

Nc1nonc1-n1nnc(C(N/N=C/c(cccc2)c2F)=O)c1-c1ccccc1

InChI

InChI=1S/C18H13FN8O2/c19-13-9-5-4-8-12(13)10-21-23-18(28)14-15(11-6-2-1-3-7-11)27(26-22-14)17-16(20)24-29-25-17/h1-10H,(H2,20,24)(H,23,28)

InChI Key

BAIVEDGFCIFENQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00759650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.35

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

2.963

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.32

Polar Surface Area

117.403

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1452-4846 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 1452-4846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1452-4846?
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What is the minimum amount of 1452-4846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1452-4846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1452-4846
  • 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 1452-4846 available by request