8015-4320 Screening compound: N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxy-3-sulfamoylbenzamide

8015-4320 Screening compound: N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxy-3-sulfamoylbenzamide
8015-4320 Screening compound: N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxy-3-sulfamoylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4320
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxy-3-sulfamoylbenzamide

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

8015-4320

Molecular Formula

C16H13N3O6S (C16 H13 N3 O6 S)

Compound Name

N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxy-3-sulfamoylbenzamide

IUPAC name

N-(6-cyano-2H-13-benzodioxol-5-yl)-4-methoxy-3-sulfamoylbenzamide

SMILES

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

InChI

InChI=1S/C16H13N3O6S/c1-23-12-3-2-9(5-15(12)26(18,21)22)16(20)19-11-6-14-13(24-8-25-14)4-10(11)7-17/h2-6H,8H2,1H3,(H,19,20)(H2,18,21,22)

InChI Key

JRCNUZUYJRHSGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.299

Distribution Coefficient, logD

0.617

Water Solubility, LogSw

-2.55

Polar Surface Area

115.037

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8015-4320 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8015-4320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4320?
Check Price and Availability of 8015-4320, 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 8015-4320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4320
  • 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 8015-4320 available by request