C450-0545 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-4-methyl-N-[(4-methylphenyl)methyl]pentanamide

C450-0545 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
C450-0545 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-4-methyl-N-[(4-methylphenyl)methyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0545
2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-4-methyl-N-[(4-methylphenyl)methyl]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

C450-0545

Molecular Formula

C24H31N3O4S (C24 H31 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CC(C(NCc1ccc(C)cc1)=O)NS(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O

InChI

InChI=1S/C24H31N3O4S/c1-16(2)13-22(24(29)25-15-19-7-5-17(3)6-8-19)26-32(30,31)21-9-10-23-20(14-21)11-12-27(23)18(4)28/h5-10,14,16,22,26H,11-13,15H2,1-4H3,(H,25,29)/t22-/m0/s1

InChI Key

GLBZHELKRKYJIK-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14759425

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

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.178

Distribution Coefficient, logD

3.177

Water Solubility, LogSw

-3.56

Polar Surface Area

82.944

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C450-0545 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

SH2 Library (10483 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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 C450-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0545?
Check Price and Availability of C450-0545, 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 C450-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0545
  • 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 C450-0545 available by request