C361-2179 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propan-1-one

C361-2179 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propan-1-one
C361-2179 Screening compound: 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-2179
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-[(1-propanoyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]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

C361-2179

Molecular Formula

C26H31N3O6S (C26 H31 N3 O6 S)

Compound Name

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

IUPAC name

1-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-[(1-propanoyl-23-dihydro-1H-indol-5-yl)sulfonyl]propan-1-one

SMILES

CCC(N(CC1)c(cc2)c1cc2S(CCC(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O)(=O)=O)=O

InChI

InChI=1S/C26H31N3O6S/c1-2-25(30)29-9-7-20-16-21(4-5-22(20)29)36(32,33)14-8-26(31)28-12-10-27(11-13-28)17-19-3-6-23-24(15-19)35-18-34-23/h3-6,15-16H,2,7-14,17-18H2,1H3

InChI Key

JJPCSKXDOZZTAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.653

Distribution Coefficient, logD

1.309

Water Solubility, LogSw

-2.53

Polar Surface Area

81.475

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C361-2179 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C361-2179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-2179?
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What is the minimum amount of C361-2179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-2179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-2179
  • 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 C361-2179 available by request