V016-6249 Screening compound: N-[3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl]-2-ethylhexanamide

V016-6249 Screening compound: N-[3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl]-2-ethylhexanamide
V016-6249 Screening compound: N-[3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl]-2-ethylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6249
N-[3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl]-2-ethylhexanamide

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

V016-6249

Molecular Formula

C21H30FN3O (C21 H30 FN3 O)

Compound Name

N-[3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl]-2-ethylhexanamide

IUPAC name

N-[3-tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-yl]-2-ethylhexanamide

SMILES

CCCCC(CC)C(Nc1cc(C(C)(C)C)nn1-c1cccc(F)c1)=O

InChI

InChI=1S/C21H30FN3O/c1-6-8-10-15(7-2)20(26)23-19-14-18(21(3,4)5)24-25(19)17-12-9-11-16(22)13-17/h9,11-15H,6-8,10H2,1-5H3,(H,23,26)/t15-/m0/s1

InChI Key

RGZXSTSCADJVQA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19841692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.038

Distribution Coefficient, logD

6.034

Water Solubility, LogSw

-5.36

Polar Surface Area

38.036

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

References: we are preparing a list of scientific research reports with V016-6249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6249?
Check Price and Availability of V016-6249, 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 V016-6249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6249
  • 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 V016-6249 available by request