K072-0039 Screening compound: 1-phenyl-N'-[(E)-[4-(trifluoromethoxy)phenyl]methylidene]-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide

K072-0039 Screening compound: 1-phenyl-N'-[(E)-[4-(trifluoromethoxy)phenyl]methylidene]-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide
K072-0039 Screening compound: 1-phenyl-N'-[(E)-[4-(trifluoromethoxy)phenyl]methylidene]-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K072-0039
1-phenyl-N'-[(E)-[4-(trifluoromethoxy)phenyl]methylidene]-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

K072-0039

Molecular Formula

C19H12F6N4O2 (C19 H12 F6 N4 O2)

Compound Name

1-phenyl-N'-[(E)-[4-(trifluoromethoxy)phenyl]methylidene]-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide

IUPAC name

1-phenyl-N'-[(E)-[4-(trifluoromethoxy)phenyl]methylidene]-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide

SMILES

O=C(c1c(C(F)(F)F)n(-c2ccccc2)nc1)N/N=C/c(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C19H12F6N4O2/c20-18(21,22)16-15(11-27-29(16)13-4-2-1-3-5-13)17(30)28-26-10-12-6-8-14(9-7-12)31-19(23,24)25/h1-11H,(H,28,30)

InChI Key

KHDYKWQNOFDNPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.968

Distribution Coefficient, logD

4.223

Water Solubility, LogSw

-4.74

Polar Surface Area

54.585

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with K072-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K072-0039?
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What is the minimum amount of K072-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K072-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K072-0039
  • 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 K072-0039 available by request