3896-0008 Screening compound: (4Z)-4-{[(4-hydroxyphenyl)amino]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

3896-0008 Screening compound: (4Z)-4-{[(4-hydroxyphenyl)amino]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
3896-0008 Screening compound: (4Z)-4-{[(4-hydroxyphenyl)amino]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3896-0008
(4Z)-4-{[(4-hydroxyphenyl)amino]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

3896-0008

Molecular Formula

C17H15N3O2 (C17 H15 N3 O2)

Compound Name

(4Z)-4-{[(4-hydroxyphenyl)amino]methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4Z)-4-{[(4-hydroxyphenyl)amino]methylidene}-3-methyl-1-phenyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C/Nc(cc2)ccc2O)=NN1c1ccccc1

InChI

InChI=1S/C17H15N3O2/c1-12-16(11-18-13-7-9-15(21)10-8-13)17(22)20(19-12)14-5-3-2-4-6-14/h2-11,18,21H,1H3

InChI Key

XVHNWGXLOQKKOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00403893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.530

Distribution Coefficient, logD

2.457

Water Solubility, LogSw

-2.67

Polar Surface Area

54.805

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

6.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 3896-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3896-0008?
Check Price and Availability of 3896-0008, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3896-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3896-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3896-0008
  • 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 3896-0008 available by request