8010-8354 Screening compound: (4-hydroxy-3-methoxyphenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl cyanide

8010-8354 Screening compound: (4-hydroxy-3-methoxyphenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl cyanide
8010-8354 Screening compound: (4-hydroxy-3-methoxyphenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-8354
(4-hydroxy-3-methoxyphenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl cyanide

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

8010-8354

Molecular Formula

C15H19N3O2 (C15 H19 N3 O2)

Compound Name

(4-hydroxy-3-methoxyphenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl cyanide

IUPAC name

2-(4-hydroxy-3-methoxyphenyl)-2-(355-trimethyl-45-dihydro-1H-pyrazol-1-yl)acetonitrile

SMILES

CC1(C)N(C(c(cc2)cc(OC)c2O)C#N)N=C(C)C1

InChI

InChI=1S/C15H19N3O2/c1-10-8-15(2,3)18(17-10)12(9-16)11-5-6-13(19)14(7-11)20-4/h5-7,12,19H,8H2,1-4H3/t12-/m1/s1

InChI Key

PEHAWCRXRUFMGE-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD01927074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.383

Distribution Coefficient, logD

2.378

Water Solubility, LogSw

-2.06

Polar Surface Area

53.832

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

8010-8354 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8010-8354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-8354?
Check Price and Availability of 8010-8354, 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 8010-8354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-8354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-8354
  • 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 8010-8354 available by request