8011-9199 Screening compound: 2-(4-methoxyphenyl)-2-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile

8011-9199 Screening compound: 2-(4-methoxyphenyl)-2-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile
8011-9199 Screening compound: 2-(4-methoxyphenyl)-2-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9199
2-(4-methoxyphenyl)-2-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile

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

8011-9199

Molecular Formula

C15H19N3O (C15 H19 N3 O)

Compound Name

2-(4-methoxyphenyl)-2-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile

IUPAC name

2-(4-methoxyphenyl)-2-(355-trimethyl-45-dihydro-1H-pyrazol-1-yl)acetonitrile

SMILES

CC1(C)N(C(c(cc2)ccc2OC)C#N)N=C(C)C1

InChI

InChI=1S/C15H19N3O/c1-11-9-15(2,3)18(17-11)14(10-16)12-5-7-13(19-4)8-6-12/h5-8,14H,9H2,1-4H3/t14-/m1/s1

InChI Key

OLHVVELHLNIYFC-CQSZACIVSA-N

MDL Number (MFCD)

MFCD02946520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.120

Distribution Coefficient, logD

3.119

Water Solubility, LogSw

-3.06

Polar Surface Area

37.197

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

8011-9199 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Pool

References: we are preparing a list of scientific research reports with 8011-9199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9199?
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What is the minimum amount of 8011-9199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9199
  • 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 8011-9199 available by request