F420-0314 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethylphenyl)(methyl)sulfamoyl]thiophene-2-carboxamide

F420-0314 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethylphenyl)(methyl)sulfamoyl]thiophene-2-carboxamide
F420-0314 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethylphenyl)(methyl)sulfamoyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F420-0314
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethylphenyl)(methyl)sulfamoyl]thiophene-2-carboxamide

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

F420-0314

Molecular Formula

C22H22N2O5S2 (C22 H22 N2 O5 S2)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethylphenyl)(methyl)sulfamoyl]thiophene-2-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-3-[(4-ethylphenyl)(methyl)sulfamoyl]thiophene-2-carboxamide

SMILES

CCc(cc1)ccc1N(C)S(c1c(C(Nc(cc2)cc3c2OCCO3)=O)scc1)(=O)=O

InChI

InChI=1S/C22H22N2O5S2/c1-3-15-4-7-17(8-5-15)24(2)31(26,27)20-10-13-30-21(20)22(25)23-16-6-9-18-19(14-16)29-12-11-28-18/h4-10,13-14H,3,11-12H2,1-2H3,(H,23,25)

InChI Key

XJPHFFHRLWXOGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-3.87

Polar Surface Area

72.992

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

F420-0314 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with F420-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F420-0314?
Check Price and Availability of F420-0314, 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 F420-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F420-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F420-0314
  • 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 F420-0314 available by request