C450-0314 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-chlorophenyl)-3-phenylpropanamide

C450-0314 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-chlorophenyl)-3-phenylpropanamide
C450-0314 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-chlorophenyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0314
2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-chlorophenyl)-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

C450-0314

Molecular Formula

C25H24ClN3O4S (C25 H24 ClN3 O4 S)

Compound Name

2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(4-chlorophenyl)-3-phenylpropanamide

IUPAC name

2-(1-acetyl-23-dihydro-1H-indole-5-sulfonamido)-N-(4-chlorophenyl)-3-phenylpropanamide

SMILES

CC(N(CC1)c(cc2)c1cc2S(NC(Cc1ccccc1)C(Nc(cc1)ccc1Cl)=O)(=O)=O)=O

InChI

InChI=1S/C25H24ClN3O4S/c1-17(30)29-14-13-19-16-22(11-12-24(19)29)34(32,33)28-23(15-18-5-3-2-4-6-18)25(31)27-21-9-7-20(26)8-10-21/h2-12,16,23,28H,13-15H2,1H3,(H,27,31)/t23-/m0/s1

InChI Key

ZKHSQEZKZSSPIT-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14759364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498

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

4.174

Distribution Coefficient, logD

4.169

Water Solubility, LogSw

-4.52

Polar Surface Area

81.350

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C450-0314 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

SH2 Library (10483 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • 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 C450-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0314?
Check Price and Availability of C450-0314, 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 C450-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0314
  • 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 C450-0314 available by request