V022-6160 Screening compound: N-benzyl-3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]propanamide

V022-6160 Screening compound: N-benzyl-3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]propanamide
V022-6160 Screening compound: N-benzyl-3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-6160
N-benzyl-3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]propanamide

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

V022-6160

Molecular Formula

C26H23F2N3O2 (C26 H23 F2 N3 O2)

Compound Name

N-benzyl-3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]propanamide

IUPAC name

N-benzyl-3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]propanamide

SMILES

Cc(c(CCC(NCc1ccccc1)=O)c1Oc2cccc(F)c2)nn1-c(cc1)ccc1F

InChI

InChI=1S/C26H23F2N3O2/c1-18-24(14-15-25(32)29-17-19-6-3-2-4-7-19)26(33-23-9-5-8-21(28)16-23)31(30-18)22-12-10-20(27)11-13-22/h2-13,16H,14-15,17H2,1H3,(H,29,32)

InChI Key

AQRWVHWLCQKTCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19899517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.953

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.75

Polar Surface Area

45.120

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

V022-6160 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 V022-6160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-6160?
Check Price and Availability of V022-6160, 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 V022-6160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-6160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-6160
  • 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 V022-6160 available by request