C450-0706 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-4-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide

C450-0706 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-4-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide
C450-0706 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-4-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0706
2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-4-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide

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

C450-0706

Molecular Formula

C25H33N3O4S (C25 H33 N3 O4 S)

Compound Name

2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-4-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide

IUPAC name

2-(1-acetyl-23-dihydro-1H-indole-5-sulfonamido)-4-methyl-N-[2-(3-methylphenyl)ethyl]pentanamide

SMILES

CC(C)CC(C(NCCc1cc(C)ccc1)=O)NS(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O

InChI

InChI=1S/C25H33N3O4S/c1-17(2)14-23(25(30)26-12-10-20-7-5-6-18(3)15-20)27-33(31,32)22-8-9-24-21(16-22)11-13-28(24)19(4)29/h5-9,15-17,23,27H,10-14H2,1-4H3,(H,26,30)/t23-/m0/s1

InChI Key

PYEJHIAFXUSDAX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14759471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.519

Distribution Coefficient, logD

3.518

Water Solubility, LogSw

-3.90

Polar Surface Area

82.785

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C450-0706 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anti-infective Library (19449 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • 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 C450-0706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0706?
Check Price and Availability of C450-0706, 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 C450-0706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0706
  • 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 C450-0706 available by request