C464-1161 Screening compound: N-[2-(1-azepanyl)-1-benzyl-2-oxoethyl]-1-propionyl-5-indolinesulfonamide

C464-1161 Screening compound: N-[2-(1-azepanyl)-1-benzyl-2-oxoethyl]-1-propionyl-5-indolinesulfonamide
C464-1161 Screening compound: N-[2-(1-azepanyl)-1-benzyl-2-oxoethyl]-1-propionyl-5-indolinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-1161
N-[2-(1-azepanyl)-1-benzyl-2-oxoethyl]-1-propionyl-5-indolinesulfonamide

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

C464-1161

Molecular Formula

C26H33N3O4S (C26 H33 N3 O4 S)

Compound Name

N-[2-(1-azepanyl)-1-benzyl-2-oxoethyl]-1-propionyl-5-indolinesulfonamide

IUPAC name

N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-1-propanoyl-23-dihydro-1H-indole-5-sulfonamide

SMILES

CCC(N(CC1)c(cc2)c1cc2S(NC(Cc1ccccc1)C(N1CCCCCC1)=O)(=O)=O)=O

InChI

InChI=1S/C26H33N3O4S/c1-2-25(30)29-17-14-21-19-22(12-13-24(21)29)34(32,33)27-23(18-20-10-6-5-7-11-20)26(31)28-15-8-3-4-9-16-28/h5-7,10-13,19,23,27H,2-4,8-9,14-18H2,1H3/t23-/m0/s1

InChI Key

JLFZGKVMDBFKHN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14760237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.876

Distribution Coefficient, logD

3.876

Water Solubility, LogSw

-3.97

Polar Surface Area

74.243

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

C464-1161 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C464-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-1161?
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What is the minimum amount of C464-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-1161
  • 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 C464-1161 available by request