C597-0171 Screening compound: N-(2-ethylhexyl)-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

C597-0171 Screening compound: N-(2-ethylhexyl)-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide
C597-0171 Screening compound: N-(2-ethylhexyl)-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C597-0171
N-(2-ethylhexyl)-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

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

C597-0171

Molecular Formula

C26H35N3O4S (C26 H35 N3 O4 S)

Compound Name

N-(2-ethylhexyl)-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

IUPAC name

N-(2-ethylhexyl)-2-(2-oxo-1234-tetrahydroquinoline-6-sulfonamido)-3-phenylpropanamide

SMILES

CCCCC(CC)CNC(C(Cc1ccccc1)NS(c(cc1)cc(CC2)c1NC2=O)(=O)=O)=O

InChI

InChI=1S/C26H35N3O4S/c1-3-5-9-19(4-2)18-27-26(31)24(16-20-10-7-6-8-11-20)29-34(32,33)22-13-14-23-21(17-22)12-15-25(30)28-23/h6-8,10-11,13-14,17,19,24,29H,3-5,9,12,15-16,18H2,1-2H3,(H,27,31)(H,28,30)

InChI Key

UHVYKTNURGVIEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.721

Distribution Coefficient, logD

4.719

Water Solubility, LogSw

-4.64

Polar Surface Area

91.346

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

C597-0171 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 C597-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C597-0171?
Check Price and Availability of C597-0171, 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 C597-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C597-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C597-0171
  • 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 C597-0171 available by request