1741-0844 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

1741-0844 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
1741-0844 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1741-0844
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(methoxymethyl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-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

1741-0844

Molecular Formula

C13H14N8O3S (C13 H14 N8 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(/C=N/NC(c2c(COC)n(-c3nonc3N)nn2)=O)scc1

InChI

InChI=1S/C13H14N8O3S/c1-7-3-4-25-9(7)5-15-17-13(22)10-8(6-23-2)21(20-16-10)12-11(14)18-24-19-12/h3-5H,6H2,1-2H3,(H2,14,18)(H,17,22)

InChI Key

MWJXSQLGUKDAQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.375

Distribution Coefficient, logD

1.372

Water Solubility, LogSw

-2.20

Polar Surface Area

127.597

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

1741-0844 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 1741-0844 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 1741-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1741-0844
  • 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 1741-0844 available by request