C444-2149 Screening compound: N-(3,4-dimethylphenyl)-1-propanoyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C444-2149 Screening compound: N-(3,4-dimethylphenyl)-1-propanoyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
C444-2149 Screening compound: N-(3,4-dimethylphenyl)-1-propanoyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-2149
N-(3,4-dimethylphenyl)-1-propanoyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

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

C444-2149

Molecular Formula

C20H24N2O3S (C20 H24 N2 O3 S)

Compound Name

N-(3,4-dimethylphenyl)-1-propanoyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

IUPAC name

n/a

SMILES

CCC(N(CCC1)c(cc2)c1cc2S(Nc1cc(C)c(C)cc1)(=O)=O)=O

InChI

InChI=1S/C20H24N2O3S/c1-4-20(23)22-11-5-6-16-13-18(9-10-19(16)22)26(24,25)21-17-8-7-14(2)15(3)12-17/h7-10,12-13,21H,4-6,11H2,1-3H3

InChI Key

AKCJSSQUINKEPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.092

Distribution Coefficient, logD

4.090

Water Solubility, LogSw

-4.15

Polar Surface Area

55.945

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

C444-2149 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Serine Proteases Inhibitors Library (32732 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
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C444-2149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-2149?
Check Price and Availability of C444-2149, 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 C444-2149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-2149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-2149
  • 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 C444-2149 available by request