6011-0646 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(pyridin-4-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

6011-0646 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(pyridin-4-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
6011-0646 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(pyridin-4-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6011-0646
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(pyridin-4-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

6011-0646

Molecular Formula

C14H16N10O2 (C14 H16 N10 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(C)Cc1c(C(N/N=C/c2ccncc2)=O)nnn1-c1nonc1N

InChI

InChI=1S/C14H16N10O2/c1-23(2)8-10-11(18-22-24(10)13-12(15)20-26-21-13)14(25)19-17-7-9-3-5-16-6-4-9/h3-7H,8H2,1-2H3,(H2,15,20)(H,19,25)

InChI Key

ZTZBDBDECOTLLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03339430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.518

Distribution Coefficient, logD

-0.979

Water Solubility, LogSw

-1.11

Polar Surface Area

131.471

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

6011-0646 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 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 6011-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6011-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6011-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6011-0646
  • 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 6011-0646 available by request