8018-5745 Screening compound: N-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-5-yl]methyl}-N-(4-chlorophenyl)amine

8018-5745 Screening compound: N-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-5-yl]methyl}-N-(4-chlorophenyl)amine
8018-5745 Screening compound: N-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-5-yl]methyl}-N-(4-chlorophenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5745
N-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-5-yl]methyl}-N-(4-chlorophenyl)amine

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

8018-5745

Molecular Formula

C11H10ClN7O (C11 H10 ClN7 O)

Compound Name

N-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-5-yl]methyl}-N-(4-chlorophenyl)amine

IUPAC name

4-(5-{[(4-chlorophenyl)amino]methyl}-1H-123-triazol-1-yl)-125-oxadiazol-3-amine

SMILES

Nc1nonc1-n1nncc1CNc(cc1)ccc1Cl

InChI

InChI=1S/C11H10ClN7O/c12-7-1-3-8(4-2-7)14-5-9-6-15-18-19(9)11-10(13)16-20-17-11/h1-4,6,14H,5H2,(H2,13,16)

InChI Key

OIEVNEYOXMAYFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01218099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.242

Distribution Coefficient, logD

2.242

Water Solubility, LogSw

-3.15

Polar Surface Area

93.457

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

8018-5745 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8018-5745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5745?
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What is the minimum amount of 8018-5745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5745
  • 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 8018-5745 available by request