4338-0851 Screening compound: 3-{[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate

4338-0851 Screening compound: 3-{[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate
4338-0851 Screening compound: 3-{[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4338-0851
3-{[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate

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

4338-0851

Molecular Formula

C21H14N2O4S (C21 H14 N2 O4 S)

Compound Name

3-{[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate

IUPAC name

3-{[(4Z)-35-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate

SMILES

O=C(c1cccs1)Oc1cc(/C=C(/C(NN2c3ccccc3)=O)\C2=O)ccc1

InChI

InChI=1S/C21H14N2O4S/c24-19-17(20(25)23(22-19)15-7-2-1-3-8-15)13-14-6-4-9-16(12-14)27-21(26)18-10-5-11-28-18/h1-13H,(H,22,24)

InChI Key

ANOYFQPLVKLBHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.279

Distribution Coefficient, logD

3.216

Water Solubility, LogSw

-3.61

Polar Surface Area

64.156

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4338-0851 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4338-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4338-0851?
Check Price and Availability of 4338-0851, 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 4338-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4338-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4338-0851
  • 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 4338-0851 available by request