E880-0404 Screening compound: N-(5-{[(4-fluorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide

E880-0404 Screening compound: N-(5-{[(4-fluorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide
E880-0404 Screening compound: N-(5-{[(4-fluorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E880-0404
N-(5-{[(4-fluorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide

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

E880-0404

Molecular Formula

C19H19FN4O5S2 (C19 H19 FN4 O5 S2)

Compound Name

N-(5-{[(4-fluorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)-3,4-dimethoxybenzamide

IUPAC name

N-(5-{[(4-fluorophenyl)methyl](methyl)sulfamoyl}-134-thiadiazol-2-yl)-34-dimethoxybenzamide

SMILES

CN(Cc(cc1)ccc1F)S(c1nnc(NC(c(cc2)cc(OC)c2OC)=O)s1)(=O)=O

InChI

InChI=1S/C19H19FN4O5S2/c1-24(11-12-4-7-14(20)8-5-12)31(26,27)19-23-22-18(30-19)21-17(25)13-6-9-15(28-2)16(10-13)29-3/h4-10H,11H2,1-3H3,(H,21,22,25)

InChI Key

GQAVLPJVJQMIGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.101

Distribution Coefficient, logD

2.330

Water Solubility, LogSw

-3.52

Polar Surface Area

94.474

Acid Dissociation Constant (pKa)

6.71

Base Dissociation Constant (pKb)

-7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

E880-0404 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E880-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E880-0404?
Check Price and Availability of E880-0404, 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 E880-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E880-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E880-0404
  • 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 E880-0404 available by request