K048-0022 Screening compound: N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide

K048-0022 Screening compound: N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide
K048-0022 Screening compound: N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K048-0022
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide

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

K048-0022

Molecular Formula

C18H11Br2F3N4O2 (C18 H11 Br2 F3 N4 O2)

Compound Name

N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide

IUPAC name

N'-[(E)-(35-dibromo-2-hydroxyphenyl)methylidene]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide

SMILES

Oc(c(/C=N/NC(c1c(C(F)(F)F)n(-c2ccccc2)nc1)=O)cc(Br)c1)c1Br

InChI

InChI=1S/C18H11Br2F3N4O2/c19-11-6-10(15(28)14(20)7-11)8-24-26-17(29)13-9-25-27(16(13)18(21,22)23)12-4-2-1-3-5-12/h1-9,28H,(H,26,29)

InChI Key

SWLVLSTUOICZFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.11

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.353

Distribution Coefficient, logD

2.702

Water Solubility, LogSw

-5.49

Polar Surface Area

64.128

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with K048-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K048-0022?
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What is the minimum amount of K048-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K048-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K048-0022
  • 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 K048-0022 available by request