C361-0302 Screening compound: 1-(5-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-2-methyl-2,3-dihydro-1H-indol-1-yl)propan-1-one

C361-0302 Screening compound: 1-(5-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-2-methyl-2,3-dihydro-1H-indol-1-yl)propan-1-one
C361-0302 Screening compound: 1-(5-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-2-methyl-2,3-dihydro-1H-indol-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-0302
1-(5-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-2-methyl-2,3-dihydro-1H-indol-1-yl)propan-1-one

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

C361-0302

Molecular Formula

C22H26ClN3O3S (C22 H26 ClN3 O3 S)

Compound Name

1-(5-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-2-methyl-2,3-dihydro-1H-indol-1-yl)propan-1-one

IUPAC name

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

SMILES

CCC(N(C(C)C1)c(cc2)c1cc2S(N(CC1)CCN1c(cccc1)c1Cl)(=O)=O)=O

InChI

InChI=1S/C22H26ClN3O3S/c1-3-22(27)26-16(2)14-17-15-18(8-9-20(17)26)30(28,29)25-12-10-24(11-13-25)21-7-5-4-6-19(21)23/h4-9,15-16H,3,10-14H2,1-2H3/t16-/m1/s1

InChI Key

GACNAGNKTFYAMH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14752535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.21

Polar Surface Area

49.271

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

C361-0302 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
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 C361-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-0302?
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What is the minimum amount of C361-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-0302
  • 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 C361-0302 available by request