5218-3897 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(thiophen-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide

5218-3897 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(thiophen-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
5218-3897 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(thiophen-2-yl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5218-3897
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(thiophen-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

5218-3897

Molecular Formula

C19H17N9O2S (C19 H17 N9 O2 S)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,3-dihydro-1H-indol-1-yl)methyl]-N'-[(E)-(thiophen-2-yl)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)-(thiophen-2-yl)methylidene]-1H-123-triazole-4-carbohydrazide

SMILES

Nc1nonc1-n1nnc(C(N/N=C/c2cccs2)=O)c1CN(CC1)c2c1cccc2

InChI

InChI=1S/C19H17N9O2S/c20-17-18(25-30-24-17)28-15(11-27-8-7-12-4-1-2-6-14(12)27)16(22-26-28)19(29)23-21-10-13-5-3-9-31-13/h1-6,9-10H,7-8,11H2,(H2,20,24)(H,23,29)

InChI Key

LDVAZELRVQCKIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03292461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.646

Distribution Coefficient, logD

2.644

Water Solubility, LogSw

-3.01

Polar Surface Area

122.102

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 5218-3897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5218-3897?
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What is the minimum amount of 5218-3897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5218-3897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5218-3897
  • 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 5218-3897 available by request