V022-5218 Screening compound: 3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)-1H-pyrazol-4-yl]-1-(pyrrolidin-1-yl)propan-1-one

V022-5218 Screening compound: 3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)-1H-pyrazol-4-yl]-1-(pyrrolidin-1-yl)propan-1-one
V022-5218 Screening compound: 3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)-1H-pyrazol-4-yl]-1-(pyrrolidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-5218
3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)-1H-pyrazol-4-yl]-1-(pyrrolidin-1-yl)propan-1-one

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

V022-5218

Molecular Formula

C24H26FN3O2 (C24 H26 FN3 O2)

Compound Name

3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)-1H-pyrazol-4-yl]-1-(pyrrolidin-1-yl)propan-1-one

IUPAC name

3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)-1H-pyrazol-4-yl]-1-(pyrrolidin-1-yl)propan-1-one

SMILES

Cc(c(CCC(N1CCCC1)=O)c1Oc2cc(C)ccc2)nn1-c(cc1)ccc1F

InChI

InChI=1S/C24H26FN3O2/c1-17-6-5-7-21(16-17)30-24-22(12-13-23(29)27-14-3-4-15-27)18(2)26-28(24)20-10-8-19(25)9-11-20/h5-11,16H,3-4,12-15H2,1-2H3

InChI Key

VBNUIHNDTPQHKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19899450

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.709

Distribution Coefficient, logD

4.709

Water Solubility, LogSw

-4.57

Polar Surface Area

37.407

Acid Dissociation Constant (pKa)

22.80

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V022-5218 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V022-5218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-5218?
Check Price and Availability of V022-5218, 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 V022-5218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-5218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-5218
  • 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 V022-5218 available by request