C450-0848 Screening compound: 1-acetyl-N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1H-indole-5-sulfonamide

C450-0848 Screening compound: 1-acetyl-N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1H-indole-5-sulfonamide
C450-0848 Screening compound: 1-acetyl-N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C450-0848
1-acetyl-N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-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

C450-0848

Molecular Formula

C25H32N4O4S (C25 H32 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H32N4O4S/c1-18-5-4-6-22(15-18)28-14-13-27(17-19(28)2)25(31)9-11-26-34(32,33)23-7-8-24-21(16-23)10-12-29(24)20(3)30/h4-8,15-16,19,26H,9-14,17H2,1-3H3/t19-/m0/s1

InChI Key

YORORCNIIKUSQF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14759501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.601

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-3.08

Polar Surface Area

77.128

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C450-0848 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C450-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C450-0848?
Check Price and Availability of C450-0848, 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 C450-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C450-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C450-0848
  • 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 C450-0848 available by request