4970-0718 Screening compound: 4-[(4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

4970-0718 Screening compound: 4-[(4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide
4970-0718 Screening compound: 4-[(4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4970-0718
4-[(4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

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

4970-0718

Molecular Formula

C18H12F3N3O5S (C18 H12 F3 N3 O5 S)

Compound Name

4-[(4Z)-4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

IUPAC name

4-[(4Z)-4-[(2H-13-benzodioxol-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonamide

SMILES

NS(c(cc1)ccc1N(C1=O)N=C(C(F)(F)F)/C1=C/c(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C18H12F3N3O5S/c19-18(20,21)16-13(7-10-1-6-14-15(8-10)29-9-28-14)17(25)24(23-16)11-2-4-12(5-3-11)30(22,26)27/h1-8H,9H2,(H2,22,26,27)

InChI Key

CYPUIUZQXUELMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03235186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.291

Distribution Coefficient, logD

2.290

Water Solubility, LogSw

-2.90

Polar Surface Area

94.132

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4970-0718 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4970-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4970-0718?
Check Price and Availability of 4970-0718, 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 4970-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4970-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4970-0718
  • 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 4970-0718 available by request