2130-0002 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-bromothiophen-2-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

2130-0002 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-bromothiophen-2-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide
2130-0002 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-bromothiophen-2-yl)methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2130-0002
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(4-bromothiophen-2-yl)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

2130-0002

Molecular Formula

C16H11BrN8O2S (C16 H11 BrN8 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Nc1nonc1-n1nnc(C(N/N=C/c2cc(Br)cs2)=O)c1-c1ccccc1

InChI

InChI=1S/C16H11BrN8O2S/c17-10-6-11(28-8-10)7-19-21-16(26)12-13(9-4-2-1-3-5-9)25(24-20-12)15-14(18)22-27-23-15/h1-8H,(H2,18,22)(H,21,26)

InChI Key

VPLDWSPRUDLSQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01198882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.29

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

3.431

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-3.87

Polar Surface Area

118.421

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2130-0002 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2130-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2130-0002?
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What is the minimum amount of 2130-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2130-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2130-0002
  • 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 2130-0002 available by request