C464-0108 Screening compound: 1-acetyl-N-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1H-indole-5-sulfonamide

C464-0108 Screening compound: 1-acetyl-N-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1H-indole-5-sulfonamide
C464-0108 Screening compound: 1-acetyl-N-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C464-0108
1-acetyl-N-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1H-indole-5-sulfonamide

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

C464-0108

Molecular Formula

C24H30N4O4S (C24 H30 N4 O4 S)

Compound Name

1-acetyl-N-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

1-acetyl-N-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-23-dihydro-1H-indole-5-sulfonamide

SMILES

CC(CN(CC1)C(CNS(c(cc2)cc(CC3)c2N3C(C)=O)(=O)=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C24H30N4O4S/c1-17-5-4-6-21(13-17)27-12-11-26(16-18(27)2)24(30)15-25-33(31,32)22-7-8-23-20(14-22)9-10-28(23)19(3)29/h4-8,13-14,18,25H,9-12,15-16H2,1-3H3/t18-/m0/s1

InChI Key

DDRMZEAASSTNDK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14760123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.502

Distribution Coefficient, logD

2.501

Water Solubility, LogSw

-2.80

Polar Surface Area

77.286

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C464-0108 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C464-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C464-0108?
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What is the minimum amount of C464-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C464-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C464-0108
  • 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 C464-0108 available by request