3896-0034 Screening compound: (4Z)-4-[(cyclohexylamino)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

3896-0034 Screening compound: (4Z)-4-[(cyclohexylamino)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
3896-0034 Screening compound: (4Z)-4-[(cyclohexylamino)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3896-0034
(4Z)-4-[(cyclohexylamino)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

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

3896-0034

Molecular Formula

C17H21N3O (C17 H21 N3 O)

Compound Name

(4Z)-4-[(cyclohexylamino)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4Z)-4-[(cyclohexylamino)methylidene]-3-methyl-1-phenyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C/NC2CCCCC2)=NN1c1ccccc1

InChI

InChI=1S/C17H21N3O/c1-13-16(12-18-14-8-4-2-5-9-14)17(21)20(19-13)15-10-6-3-7-11-15/h3,6-7,10-12,14,18H,2,4-5,8-9H2,1H3

InChI Key

PVGFWWVMEOVCOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.230

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.32

Polar Surface Area

38.235

Acid Dissociation Constant (pKa)

14.98

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 3896-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3896-0034?
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What is the minimum amount of 3896-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3896-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3896-0034
  • 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 3896-0034 available by request