8016-5107 Screening compound: N-benzoyl-N'-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}urea

8016-5107 Screening compound: N-benzoyl-N'-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}urea
8016-5107 Screening compound: N-benzoyl-N'-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5107
N-benzoyl-N'-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]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

8016-5107

Molecular Formula

C24H17F3N4O2 (C24 H17 F3 N4 O2)

Compound Name

N-benzoyl-N'-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}urea

IUPAC name

1-benzoyl-3-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}urea

SMILES

O=C(c1ccccc1)NC(Nc(cc1)ccc1-c1cc(C(F)(F)F)nn1-c1ccccc1)=O

InChI

InChI=1S/C24H17F3N4O2/c25-24(26,27)21-15-20(31(30-21)19-9-5-2-6-10-19)16-11-13-18(14-12-16)28-23(33)29-22(32)17-7-3-1-4-8-17/h1-15H,(H2,28,29,32,33)

InChI Key

HFIRMOJMIURZFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.320

Distribution Coefficient, logD

5.313

Water Solubility, LogSw

-5.82

Polar Surface Area

59.543

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.17

References: we are preparing a list of scientific research reports with 8016-5107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5107?
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What is the minimum amount of 8016-5107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5107
  • 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 8016-5107 available by request