8016-7989 Screening compound: (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl cyanide

8016-7989 Screening compound: (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl cyanide
8016-7989 Screening compound: (4-fluorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7989
(4-fluorophenyl)(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

8016-7989

Molecular Formula

C14H16FN3 (C14 H16 FN3)

Compound Name

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

IUPAC name

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

SMILES

CC1(C)N(C(c(cc2)ccc2F)C#N)N=C(C)C1

InChI

InChI=1S/C14H16FN3/c1-10-8-14(2,3)18(17-10)13(9-16)11-4-6-12(15)7-5-11/h4-7,13H,8H2,1-3H3/t13-/m1/s1

InChI Key

JWLAMZGVAKRUKS-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD05859287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.166

Distribution Coefficient, logD

3.166

Water Solubility, LogSw

-2.96

Polar Surface Area

29.653

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with 8016-7989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7989?
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What is the minimum amount of 8016-7989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7989
  • 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 8016-7989 available by request