5218-3882 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(4-ethylphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

5218-3882 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(4-ethylphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
5218-3882 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(4-ethylphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5218-3882
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(4-ethylphenyl)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

5218-3882

Molecular Formula

C23H23N9O2 (C23 H23 N9 O2)

Compound Name

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

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-[(23-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(4-ethylphenyl)methylidene]-1H-123-triazole-4-carbohydrazide

SMILES

CCc1ccc(/C=N/NC(c2c(CN(CC3)c4c3cccc4)n(-c3nonc3N)nn2)=O)cc1

InChI

InChI=1S/C23H23N9O2/c1-2-15-7-9-16(10-8-15)13-25-27-23(33)20-19(32(30-26-20)22-21(24)28-34-29-22)14-31-12-11-17-5-3-4-6-18(17)31/h3-10,13H,2,11-12,14H2,1H3,(H2,24,28)(H,27,33)

InChI Key

VQZDPQSOHBPLTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03303042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.608

Distribution Coefficient, logD

3.589

Water Solubility, LogSw

-3.65

Polar Surface Area

121.084

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

5218-3882 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5218-3882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5218-3882?
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What is the minimum amount of 5218-3882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5218-3882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5218-3882
  • 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 5218-3882 available by request