8015-4321 Screening compound: N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-(ethylsulfamoyl)-4-methoxybenzamide

8015-4321 Screening compound: N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-(ethylsulfamoyl)-4-methoxybenzamide
8015-4321 Screening compound: N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-(ethylsulfamoyl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4321
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-(ethylsulfamoyl)-4-methoxybenzamide

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

8015-4321

Molecular Formula

C18H17N3O6S (C18 H17 N3 O6 S)

Compound Name

N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-(ethylsulfamoyl)-4-methoxybenzamide

IUPAC name

N-(6-cyano-2H-13-benzodioxol-5-yl)-3-(ethylsulfamoyl)-4-methoxybenzamide

SMILES

CCNS(c(cc(cc1)C(Nc(cc2OCOc2c2)c2C#N)=O)c1OC)(=O)=O

InChI

InChI=1S/C18H17N3O6S/c1-3-20-28(23,24)17-7-11(4-5-14(17)25-2)18(22)21-13-8-16-15(26-10-27-16)6-12(13)9-19/h4-8,20H,3,10H2,1-2H3,(H,21,22)

InChI Key

AXLZFUYROAGALG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.164

Distribution Coefficient, logD

1.481

Water Solubility, LogSw

-3.10

Polar Surface Area

106.090

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8015-4321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4321?
Check Price and Availability of 8015-4321, 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 8015-4321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4321
  • 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 8015-4321 available by request