2418-0567 Screening compound: 3-(5-hydroxy-3-phenyl-1H-pyrazol-1-yl)propanenitrile

2418-0567 Screening compound: 3-(5-hydroxy-3-phenyl-1H-pyrazol-1-yl)propanenitrile
2418-0567 Screening compound: 3-(5-hydroxy-3-phenyl-1H-pyrazol-1-yl)propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2418-0567
3-(5-hydroxy-3-phenyl-1H-pyrazol-1-yl)propanenitrile

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

2418-0567

Molecular Formula

C12H11N3O (C12 H11 N3 O)

Compound Name

3-(5-hydroxy-3-phenyl-1H-pyrazol-1-yl)propanenitrile

IUPAC name

3-(5-hydroxy-3-phenyl-1H-pyrazol-1-yl)propanenitrile

SMILES

N#CCCn(c(O)c1)nc1-c1ccccc1

InChI

InChI=1S/C12H11N3O/c13-7-4-8-15-12(16)9-11(14-15)10-5-2-1-3-6-10/h1-3,5-6,9,16H,4,8H2

InChI Key

MKLARMJYBRGTLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00119950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

213.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.371

Distribution Coefficient, logD

0.032

Water Solubility, LogSw

-0.94

Polar Surface Area

48.138

Acid Dissociation Constant (pKa)

6.08

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2418-0567 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

GABA Library (7115 compounds)

Soluble Diversity Library (15920 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Eye
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 2418-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2418-0567?
Check Price and Availability of 2418-0567, 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 2418-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2418-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2418-0567
  • 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 2418-0567 available by request