4164-0047 Screening compound: 3-(N-BENZYLBENZENESULFONAMIDO)PROPANAMIDE

4164-0047 Screening compound: 3-(N-BENZYLBENZENESULFONAMIDO)PROPANAMIDE
4164-0047 Screening compound: 3-(N-BENZYLBENZENESULFONAMIDO)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4164-0047
3-(N-BENZYLBENZENESULFONAMIDO)PROPANAMIDE

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

4164-0047

Molecular Formula

C16H18N2O3S (C16 H18 N2 O3 S)

Compound Name

3-(N-BENZYLBENZENESULFONAMIDO)PROPANAMIDE

IUPAC name

3-(N-benzylbenzenesulfonamido)propanamide

SMILES

NC(CCN(Cc1ccccc1)S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C16H18N2O3S/c17-16(19)11-12-18(13-14-7-3-1-4-8-14)22(20,21)15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,17,19)

InChI Key

NQDOZFDFYLKTHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02030125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.815

Distribution Coefficient, logD

1.815

Water Solubility, LogSw

-2.45

Polar Surface Area

64.980

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4164-0047 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 4164-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4164-0047?
Check Price and Availability of 4164-0047, 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 4164-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4164-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4164-0047
  • 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 4164-0047 available by request