C450-0268 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-{2-[benzyl(methyl)amino]ethyl}-3-methylbutanamide

C450-0268 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-{2-[benzyl(methyl)amino]ethyl}-3-methylbutanamide
C450-0268 Screening compound: 2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-{2-[benzyl(methyl)amino]ethyl}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0268
2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-{2-[benzyl(methyl)amino]ethyl}-3-methylbutanamide

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

C450-0268

Molecular Formula

C25H34N4O4S (C25 H34 N4 O4 S)

Compound Name

2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-{2-[benzyl(methyl)amino]ethyl}-3-methylbutanamide

IUPAC name

2-(1-acetyl-23-dihydro-1H-indole-5-sulfonamido)-N-{2-[benzyl(methyl)amino]ethyl}-3-methylbutanamide

SMILES

CC(C)C(C(NCCN(C)Cc1ccccc1)=O)NS(c(cc1)cc(CC2)c1N2C(C)=O)(=O)=O

InChI

InChI=1S/C25H34N4O4S/c1-18(2)24(25(31)26-13-15-28(4)17-20-8-6-5-7-9-20)27-34(32,33)22-10-11-23-21(16-22)12-14-29(23)19(3)30/h5-11,16,18,24,27H,12-15,17H2,1-4H3,(H,26,31)/t24-/m0/s1

InChI Key

LINSHGRKOWCPLG-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14759355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.200

Distribution Coefficient, logD

1.646

Water Solubility, LogSw

-2.95

Polar Surface Area

86.601

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C450-0268 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C450-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0268?
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What is the minimum amount of C450-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0268
  • 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 C450-0268 available by request