V027-7461 Screening compound: 2-fluoro-N-{2-[3-(2-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide

V027-7461 Screening compound: 2-fluoro-N-{2-[3-(2-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide
V027-7461 Screening compound: 2-fluoro-N-{2-[3-(2-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-7461
2-fluoro-N-{2-[3-(2-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide

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

V027-7461

Molecular Formula

C25H21F2N3O2 (C25 H21 F2 N3 O2)

Compound Name

2-fluoro-N-{2-[3-(2-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide

IUPAC name

2-fluoro-N-{2-[3-(2-fluorophenyl)-5-phenyl-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide

SMILES

CN(CC(N(C(C1)c2ccccc2)N=C1c(cccc1)c1F)=O)C(c(cccc1)c1F)=O

InChI

InChI=1S/C25H21F2N3O2/c1-29(25(32)19-12-6-8-14-21(19)27)16-24(31)30-23(17-9-3-2-4-10-17)15-22(28-30)18-11-5-7-13-20(18)26/h2-14,23H,15-16H2,1H3/t23-/m1/s1

InChI Key

QLIGFJCHAIXORE-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19801820

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

433.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.160

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-4.32

Polar Surface Area

43.009

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

V027-7461 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 V027-7461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-7461?
Check Price and Availability of V027-7461, 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 V027-7461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-7461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-7461
  • 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 V027-7461 available by request