V005-8022 Screening compound: 3-{2-[3-(2-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyethyl)-1-[4-(trifluoromethyl)phenyl]urea

V005-8022 Screening compound: 3-{2-[3-(2-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyethyl)-1-[4-(trifluoromethyl)phenyl]urea
V005-8022 Screening compound: 3-{2-[3-(2-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyethyl)-1-[4-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-8022
3-{2-[3-(2-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyethyl)-1-[4-(trifluoromethyl)phenyl]urea

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

V005-8022

Molecular Formula

C28H26F4N4O3 (C28 H26 F4 N4 O3)

Compound Name

3-{2-[3-(2-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyethyl)-1-[4-(trifluoromethyl)phenyl]urea

IUPAC name

3-{2-[3-(2-fluorophenyl)-5-phenyl-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methoxyethyl)-1-[4-(trifluoromethyl)phenyl]urea

SMILES

COCCN(CC(N(C(C1)c2ccccc2)N=C1c(cccc1)c1F)=O)C(Nc1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C28H26F4N4O3/c1-39-16-15-35(27(38)33-21-13-11-20(12-14-21)28(30,31)32)18-26(37)36-25(19-7-3-2-4-8-19)17-24(34-36)22-9-5-6-10-23(22)29/h2-14,25H,15-18H2,1H3,(H,33,38)/t25-/m1/s1

InChI Key

UQBYTOJDKZFPMW-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19801882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.305

Distribution Coefficient, logD

5.305

Water Solubility, LogSw

-5.30

Polar Surface Area

60.211

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V005-8022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-8022?
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What is the minimum amount of V005-8022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-8022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-8022
  • 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 V005-8022 available by request