8014-6871 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide

8014-6871 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
8014-6871 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6871
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylamino)methyl]-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

8014-6871

Molecular Formula

C12H13N9O2 (C12 H13 N9 O2)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-5-[(phenylamino)methyl]-1H-123-triazole-4-carbohydrazide

SMILES

Nc1nonc1-n1nnc(C(NN)=O)c1CNc1ccccc1

InChI

InChI=1S/C12H13N9O2/c13-10-11(19-23-18-10)21-8(9(17-20-21)12(22)16-14)6-15-7-4-2-1-3-5-7/h1-5,15H,6,14H2,(H2,13,18)(H,16,22)

InChI Key

LJXGUTBOYVSBGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03761189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.327

Distribution Coefficient, logD

-0.327

Water Solubility, LogSw

-1.39

Polar Surface Area

141.979

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8014-6871 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8014-6871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6871?
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What is the minimum amount of 8014-6871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6871
  • 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 8014-6871 available by request