8015-1432 Screening compound: N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-{[(furan-2-yl)methyl]sulfamoyl}-4-methoxybenzamide

8015-1432 Screening compound: N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-{[(furan-2-yl)methyl]sulfamoyl}-4-methoxybenzamide
8015-1432 Screening compound: N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-{[(furan-2-yl)methyl]sulfamoyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1432
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-{[(furan-2-yl)methyl]sulfamoyl}-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

8015-1432

Molecular Formula

C21H17N3O7S (C21 H17 N3 O7 S)

Compound Name

N-(6-cyano-2H-1,3-benzodioxol-5-yl)-3-{[(furan-2-yl)methyl]sulfamoyl}-4-methoxybenzamide

IUPAC name

N-(6-cyano-2H-13-benzodioxol-5-yl)-3-{[(furan-2-yl)methyl]sulfamoyl}-4-methoxybenzamide

SMILES

COc(ccc(C(Nc(cc1OCOc1c1)c1C#N)=O)c1)c1S(NCc1ccco1)(=O)=O

InChI

InChI=1S/C21H17N3O7S/c1-28-17-5-4-13(8-20(17)32(26,27)23-11-15-3-2-6-29-15)21(25)24-16-9-19-18(30-12-31-19)7-14(16)10-22/h2-9,23H,11-12H2,1H3,(H,24,25)

InChI Key

UWMMPHWJNFKVAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.804

Distribution Coefficient, logD

2.122

Water Solubility, LogSw

-3.57

Polar Surface Area

113.941

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8015-1432 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8015-1432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1432?
Check Price and Availability of 8015-1432, 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 8015-1432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1432
  • 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 8015-1432 available by request