C450-0597 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(3,5-dimethylphenyl)-4-methylpentanamide

C450-0597 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(3,5-dimethylphenyl)-4-methylpentanamide
C450-0597 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(3,5-dimethylphenyl)-4-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0597
2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(3,5-dimethylphenyl)-4-methylpentanamide

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

C450-0597

Molecular Formula

C24H31N3O4S (C24 H31 N3 O4 S)

Compound Name

2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(3,5-dimethylphenyl)-4-methylpentanamide

IUPAC name

2-(1-acetyl-23-dihydro-1H-indole-5-sulfonamido)-N-(35-dimethylphenyl)-4-methylpentanamide

SMILES

CC(C)CC(C(Nc1cc(C)cc(C)c1)=O)NS(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O

InChI

InChI=1S/C24H31N3O4S/c1-15(2)10-22(24(29)25-20-12-16(3)11-17(4)13-20)26-32(30,31)21-6-7-23-19(14-21)8-9-27(23)18(5)28/h6-7,11-15,22,26H,8-10H2,1-5H3,(H,25,29)/t22-/m0/s1

InChI Key

UUDOODQCDUIGHR-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14759442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.098

Distribution Coefficient, logD

4.097

Water Solubility, LogSw

-4.16

Polar Surface Area

81.622

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C450-0597 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Human Proteases Annotated Library (2868 compounds)

SH2 Library (10483 compounds)

Selective Target Activity Profiling Library (14702 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
  • Immune system
  • animal
  • Cancer
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C450-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0597?
Check Price and Availability of C450-0597, 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 C450-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0597
  • 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 C450-0597 available by request