C105-0478 Screening compound: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N~1~-phenethylpropanamide

C105-0478 Screening compound: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N~1~-phenethylpropanamide
C105-0478 Screening compound: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N~1~-phenethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C105-0478
3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N~1~-phenethylpropanamide

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

C105-0478

Molecular Formula

C17H17N3O4S (C17 H17 N3 O4 S)

Compound Name

3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N~1~-phenethylpropanamide

IUPAC name

n/a

SMILES

O=C(CCS(c1cccc2nonc12)(=O)=O)NCCc1ccccc1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.960

Distribution Coefficient, logD

1.960

Water Solubility, LogSw

-2.45

Polar Surface Area

89.406

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C105-0478 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C105-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C105-0478?
Check Price and Availability of C105-0478, 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 C105-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C105-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C105-0478
  • 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 C105-0478 available by request