5416-0145 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetohydrazide

5416-0145 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetohydrazide
5416-0145 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5416-0145
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetohydrazide

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

5416-0145

Molecular Formula

C11H11N7O2 (C11 H11 N7 O2)

Compound Name

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]acetohydrazide

IUPAC name

2-[2-(4-amino-125-oxadiazol-3-yl)-1H-13-benzodiazol-1-yl]acetohydrazide

SMILES

Nc1nonc1-c1nc(cccc2)c2n1CC(NN)=O

InChI

InChI=1S/C11H11N7O2/c12-10-9(16-20-17-10)11-14-6-3-1-2-4-7(6)18(11)5-8(19)15-13/h1-4H,5,13H2,(H2,12,17)(H,15,19)

InChI Key

ZTOQQPKPVQHRMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03196841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.010

Distribution Coefficient, logD

0.009

Water Solubility, LogSw

-1.64

Polar Surface Area

115.944

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

5416-0145 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 5416-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5416-0145?
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What is the minimum amount of 5416-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5416-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5416-0145
  • 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 5416-0145 available by request