4199-0097 Screening compound: (4Z)-3-methyl-4-[(3-methylthiophen-2-yl)methylidene]-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

4199-0097 Screening compound: (4Z)-3-methyl-4-[(3-methylthiophen-2-yl)methylidene]-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
4199-0097 Screening compound: (4Z)-3-methyl-4-[(3-methylthiophen-2-yl)methylidene]-1-phenyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4199-0097
(4Z)-3-methyl-4-[(3-methylthiophen-2-yl)methylidene]-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

4199-0097

Molecular Formula

C16H14N2OS (C16 H14 N2 OS)

Compound Name

(4Z)-3-methyl-4-[(3-methylthiophen-2-yl)methylidene]-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4Z)-3-methyl-4-[(3-methylthiophen-2-yl)methylidene]-1-phenyl-45-dihydro-1H-pyrazol-5-one

SMILES

Cc1c(/C=C(/C(C)=NN2c3ccccc3)\C2=O)scc1

InChI

InChI=1S/C16H14N2OS/c1-11-8-9-20-15(11)10-14-12(2)17-18(16(14)19)13-6-4-3-5-7-13/h3-10H,1-2H3

InChI Key

XXTJSVNFZJOVEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01856054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.580

Distribution Coefficient, logD

3.580

Water Solubility, LogSw

-3.68

Polar Surface Area

26.605

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4199-0097 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4199-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4199-0097?
Check Price and Availability of 4199-0097, 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 4199-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4199-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4199-0097
  • 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 4199-0097 available by request