8018-6481 Screening compound: 4-(benzylamino)-1,2,5-oxadiazol-3-ol

8018-6481 Screening compound: 4-(benzylamino)-1,2,5-oxadiazol-3-ol
8018-6481 Screening compound: 4-(benzylamino)-1,2,5-oxadiazol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6481
4-(benzylamino)-1,2,5-oxadiazol-3-ol

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

8018-6481

Molecular Formula

C9H9N3O2 (C9 H9 N3 O2)

Compound Name

4-(benzylamino)-1,2,5-oxadiazol-3-ol

IUPAC name

4-(benzylamino)-125-oxadiazol-3-ol

SMILES

Oc1nonc1NCc1ccccc1

InChI

InChI=1S/C9H9N3O2/c13-9-8(11-14-12-9)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H,12,13)

InChI Key

RXGFEQVVNTWFPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03990557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

191.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.494

Distribution Coefficient, logD

-1.173

Water Solubility, LogSw

-1.46

Polar Surface Area

63.691

Acid Dissociation Constant (pKa)

4.73

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8018-6481 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-6481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6481?
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What is the minimum amount of 8018-6481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6481
  • 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 8018-6481 available by request