4632-5736 Screening compound: N-[4-(5-{[(4Z)-1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzenesulfonyl]acetamide

4632-5736 Screening compound: N-[4-(5-{[(4Z)-1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzenesulfonyl]acetamide
4632-5736 Screening compound: N-[4-(5-{[(4Z)-1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzenesulfonyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4632-5736
N-[4-(5-{[(4Z)-1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzenesulfonyl]acetamide

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

4632-5736

Molecular Formula

C22H16FN3O6S (C22 H16 FN3 O6 S)

Compound Name

N-[4-(5-{[(4Z)-1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzenesulfonyl]acetamide

IUPAC name

N-[4-(5-{[(4Z)-1-(4-fluorophenyl)-35-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzenesulfonyl]acetamide

SMILES

CC(NS(c(cc1)ccc1-c1ccc(/C=C(/C(NN2c(cc3)ccc3F)=O)\C2=O)o1)(=O)=O)=O

InChI

InChI=1S/C22H16FN3O6S/c1-13(27)25-33(30,31)18-9-2-14(3-10-18)20-11-8-17(32-20)12-19-21(28)24-26(22(19)29)16-6-4-15(23)5-7-16/h2-12H,1H3,(H,24,28)(H,25,27)

InChI Key

MXHKFFUQNASUAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02909406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.953

Distribution Coefficient, logD

-1.194

Water Solubility, LogSw

-2.75

Polar Surface Area

105.329

Acid Dissociation Constant (pKa)

4.25

Base Dissociation Constant (pKb)

-7.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

4632-5736 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4632-5736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4632-5736?
Check Price and Availability of 4632-5736, 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 4632-5736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4632-5736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4632-5736
  • 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 4632-5736 available by request