C361-0071 Screening compound: 1-(5-{[4-(3-methoxyphenyl)piperazino]sulfonyl}-2-methyl-2,3-dihydro-1H-indol-1-yl)-1-ethanone

C361-0071 Screening compound: 1-(5-{[4-(3-methoxyphenyl)piperazino]sulfonyl}-2-methyl-2,3-dihydro-1H-indol-1-yl)-1-ethanone
C361-0071 Screening compound: 1-(5-{[4-(3-methoxyphenyl)piperazino]sulfonyl}-2-methyl-2,3-dihydro-1H-indol-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-0071
1-(5-{[4-(3-methoxyphenyl)piperazino]sulfonyl}-2-methyl-2,3-dihydro-1H-indol-1-yl)-1-ethanone

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

C361-0071

Molecular Formula

C22H27N3O4S (C22 H27 N3 O4 S)

Compound Name

1-(5-{[4-(3-methoxyphenyl)piperazino]sulfonyl}-2-methyl-2,3-dihydro-1H-indol-1-yl)-1-ethanone

IUPAC name

1-(5-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-2-methyl-23-dihydro-1H-indol-1-yl)ethan-1-one

SMILES

CC(C1)N(C(C)=O)c(cc2)c1cc2S(N(CC1)CCN1c1cc(OC)ccc1)(=O)=O

InChI

InChI=1S/C22H27N3O4S/c1-16-13-18-14-21(7-8-22(18)25(16)17(2)26)30(27,28)24-11-9-23(10-12-24)19-5-4-6-20(15-19)29-3/h4-8,14-16H,9-13H2,1-3H3/t16-/m1/s1

InChI Key

IJPOMJAECMPERV-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14752493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.922

Distribution Coefficient, logD

2.922

Water Solubility, LogSw

-3.54

Polar Surface Area

58.111

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

C361-0071 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 C361-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-0071?
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What is the minimum amount of C361-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-0071
  • 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 C361-0071 available by request