2130-0052 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-bromothiophen-2-yl)methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide

2130-0052 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-bromothiophen-2-yl)methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
2130-0052 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-bromothiophen-2-yl)methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2130-0052
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-bromothiophen-2-yl)methylidene]-5-methyl-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

2130-0052

Molecular Formula

C11H9BrN8O2S (C11 H9 BrN8 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(N/N=C/c2cc(Br)cs2)=O)nnn1-c1nonc1N

InChI

InChI=1S/C11H9BrN8O2S/c1-5-8(15-19-20(5)10-9(13)17-22-18-10)11(21)16-14-3-7-2-6(12)4-23-7/h2-4H,1H3,(H2,13,17)(H,16,21)

InChI Key

NJBNDTBYUAGCBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01198918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.087

Distribution Coefficient, logD

2.079

Water Solubility, LogSw

-2.50

Polar Surface Area

119.663

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

2130-0052 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2130-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2130-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2130-0052
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2130-0052
  • 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 2130-0052 available by request