C450-0343 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[(4-methylphenyl)methyl]-3-phenylpropanamide

C450-0343 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
C450-0343 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[(4-methylphenyl)methyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0343
2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-[(4-methylphenyl)methyl]-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

C450-0343

Molecular Formula

C27H29N3O4S (C27 H29 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CC1)c(cc2)c1cc2S(NC(Cc1ccccc1)C(NCc1ccc(C)cc1)=O)(=O)=O)=O

InChI

InChI=1S/C27H29N3O4S/c1-19-8-10-22(11-9-19)18-28-27(32)25(16-21-6-4-3-5-7-21)29-35(33,34)24-12-13-26-23(17-24)14-15-30(26)20(2)31/h3-13,17,25,29H,14-16,18H2,1-2H3,(H,28,32)/t25-/m0/s1

InChI Key

QJPSINVRZXPBEC-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14759373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

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

3.352

Distribution Coefficient, logD

3.352

Water Solubility, LogSw

-3.82

Polar Surface Area

82.672

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

C450-0343 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

SH2 Library (10483 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C450-0343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0343?
Check Price and Availability of C450-0343, 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 C450-0343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0343
  • 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 C450-0343 available by request