8009-3317 Screening compound: 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(4-methoxyphenyl)methyl]propanedinitrile

8009-3317 Screening compound: 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(4-methoxyphenyl)methyl]propanedinitrile
8009-3317 Screening compound: 2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(4-methoxyphenyl)methyl]propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3317
2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(4-methoxyphenyl)methyl]propanedinitrile

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

8009-3317

Molecular Formula

C15H14N4O2 (C15 H14 N4 O2)

Compound Name

2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(4-methoxyphenyl)methyl]propanedinitrile

IUPAC name

2-[(3-hydroxy-5-methyl-1H-pyrazol-4-yl)(4-methoxyphenyl)methyl]propanedinitrile

SMILES

Cc1c(C(C(C#N)C#N)c(cc2)ccc2OC)c(O)n[nH]1

InChI

InChI=1S/C15H14N4O2/c1-9-13(15(20)19-18-9)14(11(7-16)8-17)10-3-5-12(21-2)6-4-10/h3-6,11,14H,1-2H3,(H2,18,19,20)/t14-/m0/s1

InChI Key

JHFBSMKTBWCZHI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01571585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.293

Distribution Coefficient, logD

0.564

Water Solubility, LogSw

-1.64

Polar Surface Area

81.922

Acid Dissociation Constant (pKa)

6.76

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 8009-3317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3317?
Check Price and Availability of 8009-3317, 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 8009-3317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3317
  • 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 8009-3317 available by request