5813-0979 Screening compound: 4-[5-(2-fluorophenoxy)pentyl]-3,5-dimethyl-1H-pyrazole

5813-0979 Screening compound: 4-[5-(2-fluorophenoxy)pentyl]-3,5-dimethyl-1H-pyrazole
5813-0979 Screening compound: 4-[5-(2-fluorophenoxy)pentyl]-3,5-dimethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5813-0979
4-[5-(2-fluorophenoxy)pentyl]-3,5-dimethyl-1H-pyrazole

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

5813-0979

Molecular Formula

C16H21FN2O (C16 H21 FN2 O)

Compound Name

4-[5-(2-fluorophenoxy)pentyl]-3,5-dimethyl-1H-pyrazole

IUPAC name

4-[5-(2-fluorophenoxy)pentyl]-35-dimethyl-1H-pyrazole

SMILES

Cc1c(CCCCCOc(cccc2)c2F)c(C)n[nH]1

InChI

InChI=1S/C16H21FN2O/c1-12-14(13(2)19-18-12)8-4-3-7-11-20-16-10-6-5-9-15(16)17/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,18,19)

InChI Key

YZZKYRVOMDNYLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01307213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.240

Distribution Coefficient, logD

4.240

Water Solubility, LogSw

-4.34

Polar Surface Area

31.386

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with 5813-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5813-0979?
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What is the minimum amount of 5813-0979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5813-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5813-0979
  • 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 5813-0979 available by request