S553-1042 Screening compound: 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-ol

S553-1042 Screening compound: 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-ol
S553-1042 Screening compound: 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-1042
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-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

S553-1042

Molecular Formula

C10H9N3O2 (C10 H9 N3 O2)

Compound Name

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-ol

IUPAC name

3-(3-cyclopropyl-124-oxadiazol-5-yl)pyridin-2-ol

SMILES

Oc(nccc1)c1-c1nc(C2CC2)no1

InChI

InChI=1S/C10H9N3O2/c14-9-7(2-1-5-11-9)10-12-8(13-15-10)6-3-4-6/h1-2,5-6H,3-4H2,(H,11,14)

InChI Key

PLOOBJOLLNYFSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD23696062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

203.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.360

Distribution Coefficient, logD

1.074

Water Solubility, LogSw

-1.98

Polar Surface Area

58.176

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

S553-1042 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S553-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-1042?
Check Price and Availability of S553-1042, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S553-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-1042
  • 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 S553-1042 available by request