8018-8495 Screening compound: (Z)-4-amino-N'-hydroxy-N-[(pyridin-3-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide

8018-8495 Screening compound: (Z)-4-amino-N'-hydroxy-N-[(pyridin-3-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide
8018-8495 Screening compound: (Z)-4-amino-N'-hydroxy-N-[(pyridin-3-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8495
(Z)-4-amino-N'-hydroxy-N-[(pyridin-3-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide

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

8018-8495

Molecular Formula

C9H10N6O2 (C9 H10 N6 O2)

Compound Name

(Z)-4-amino-N'-hydroxy-N-[(pyridin-3-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide

IUPAC name

(Z)-4-amino-N'-hydroxy-N-[(pyridin-3-yl)methyl]-125-oxadiazole-3-carboximidamide

SMILES

Nc1nonc1/C(/NCc1cnccc1)=N/O

InChI

InChI=1S/C9H10N6O2/c10-8-7(14-17-15-8)9(13-16)12-5-6-2-1-3-11-4-6/h1-4,16H,5H2,(H2,10,15)(H,12,13)

InChI Key

LJAVKNLPIJIEJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.482

Distribution Coefficient, logD

-0.487

Water Solubility, LogSw

-0.66

Polar Surface Area

106.870

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8018-8495 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-8495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8495?
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What is the minimum amount of 8018-8495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8495
  • 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 8018-8495 available by request