F828-0544 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

F828-0544 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
F828-0544 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F828-0544
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-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

F828-0544

Molecular Formula

C19H18FN3O4S (C19 H18 FN3 O4 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-1-(4-fluorophenyl)-35-dimethyl-1H-pyrazole-4-sulfonamide

SMILES

Cc(n(-c(cc1)ccc1F)nc1C)c1S(Nc(cc1)cc2c1OCCO2)(=O)=O

InChI

InChI=1S/C19H18FN3O4S/c1-12-19(13(2)23(21-12)16-6-3-14(20)4-7-16)28(24,25)22-15-5-8-17-18(11-15)27-10-9-26-17/h3-8,11,22H,9-10H2,1-2H3

InChI Key

AXYHBMBEONUAOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27196234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.047

Distribution Coefficient, logD

1.742

Water Solubility, LogSw

-2.85

Polar Surface Area

71.129

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

F828-0544 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F828-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F828-0544?
Check Price and Availability of F828-0544, 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 F828-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F828-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F828-0544
  • 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 F828-0544 available by request