8016-5605 Screening compound: 2-(benzylsulfonyl)-N~1~-(6-propyl-1,3-benzodioxol-5-yl)acetamide

8016-5605 Screening compound: 2-(benzylsulfonyl)-N~1~-(6-propyl-1,3-benzodioxol-5-yl)acetamide
8016-5605 Screening compound: 2-(benzylsulfonyl)-N~1~-(6-propyl-1,3-benzodioxol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5605
2-(benzylsulfonyl)-N~1~-(6-propyl-1,3-benzodioxol-5-yl)acetamide

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

8016-5605

Molecular Formula

C19H21NO5S (C19 H21 NO5 S)

Compound Name

2-(benzylsulfonyl)-N~1~-(6-propyl-1,3-benzodioxol-5-yl)acetamide

IUPAC name

2-phenylmethanesulfonyl-N-(6-propyl-2H-13-benzodioxol-5-yl)acetamide

SMILES

CCCc(cc1OCOc1c1)c1NC(CS(Cc1ccccc1)(=O)=O)=O

InChI

InChI=1S/C19H21NO5S/c1-2-6-15-9-17-18(25-13-24-17)10-16(15)20-19(21)12-26(22,23)11-14-7-4-3-5-8-14/h3-5,7-10H,2,6,11-13H2,1H3,(H,20,21)

InChI Key

GXYGILVDZCBQRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.005

Distribution Coefficient, logD

3.005

Water Solubility, LogSw

-3.49

Polar Surface Area

67.834

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

8016-5605 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-5605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5605?
Check Price and Availability of 8016-5605, 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 8016-5605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5605
  • 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 8016-5605 available by request