3736-0482 Screening compound: (4Z)-4-{[5-(3,4-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-1-(4-fluorophenyl)pyrazolidine-3,5-dione

3736-0482 Screening compound: (4Z)-4-{[5-(3,4-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-1-(4-fluorophenyl)pyrazolidine-3,5-dione
3736-0482 Screening compound: (4Z)-4-{[5-(3,4-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-1-(4-fluorophenyl)pyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3736-0482
(4Z)-4-{[5-(3,4-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-1-(4-fluorophenyl)pyrazolidine-3,5-dione

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

3736-0482

Molecular Formula

C22H16FN3O5 (C22 H16 FN3 O5)

Compound Name

(4Z)-4-{[5-(3,4-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-1-(4-fluorophenyl)pyrazolidine-3,5-dione

IUPAC name

(4Z)-4-{[5-(34-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-1-(4-fluorophenyl)pyrazolidine-35-dione

SMILES

Cc(cc1)c(C)c([N+]([O-])=O)c1-c1ccc(/C=C(/C(NN2c(cc3)ccc3F)=O)\C2=O)o1

InChI

InChI=1S/C22H16FN3O5/c1-12-3-9-17(20(13(12)2)26(29)30)19-10-8-16(31-19)11-18-21(27)24-25(22(18)28)15-6-4-14(23)5-7-15/h3-11H,1-2H3,(H,24,27)

InChI Key

NMYRJJVRJXGWKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02221179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.702

Distribution Coefficient, logD

4.306

Water Solubility, LogSw

-4.62

Polar Surface Area

83.109

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3736-0482 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3736-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3736-0482?
Check Price and Availability of 3736-0482, 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 3736-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3736-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3736-0482
  • 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 3736-0482 available by request