C464-0984 Screening compound: 4-methyl-N-(2-phenylethyl)-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide

C464-0984 Screening compound: 4-methyl-N-(2-phenylethyl)-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide
C464-0984 Screening compound: 4-methyl-N-(2-phenylethyl)-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-0984
4-methyl-N-(2-phenylethyl)-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)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

C464-0984

Molecular Formula

C25H33N3O4S (C25 H33 N3 O4 S)

Compound Name

4-methyl-N-(2-phenylethyl)-2-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)pentanamide

IUPAC name

4-methyl-N-(2-phenylethyl)-2-(1-propanoyl-23-dihydro-1H-indole-5-sulfonamido)pentanamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(CC(C)C)C(NCCc1ccccc1)=O)(=O)=O)=O

InChI

InChI=1S/C25H33N3O4S/c1-4-24(29)28-15-13-20-17-21(10-11-23(20)28)33(31,32)27-22(16-18(2)3)25(30)26-14-12-19-8-6-5-7-9-19/h5-11,17-18,22,27H,4,12-16H2,1-3H3,(H,26,30)/t22-/m0/s1

InChI Key

YMVALPOFKIQEAT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14760205

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

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.562

Distribution Coefficient, logD

3.562

Water Solubility, LogSw

-3.90

Polar Surface Area

81.790

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C464-0984 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 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
  • Antiviral
  • Infections
  • Immune system
Structure:
  • 3D

References: we are preparing a list of scientific research reports with C464-0984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-0984?
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What is the minimum amount of C464-0984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-0984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-0984
  • 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 C464-0984 available by request