C361-0854 Screening compound: 1-cyclopropanecarbonyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2,3-dihydro-1H-indole-5-sulfonamide

C361-0854 Screening compound: 1-cyclopropanecarbonyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2,3-dihydro-1H-indole-5-sulfonamide
C361-0854 Screening compound: 1-cyclopropanecarbonyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2,3-dihydro-1H-indole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C361-0854
1-cyclopropanecarbonyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-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

C361-0854

Molecular Formula

C25H31FN4O3S (C25 H31 FN4 O3 S)

Compound Name

1-cyclopropanecarbonyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2,3-dihydro-1H-indole-5-sulfonamide

IUPAC name

1-cyclopropanecarbonyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-23-dihydro-1H-indole-5-sulfonamide

SMILES

O=C(C1CC1)N(CC1)c(cc2)c1cc2S(NCCCN(CC1)CCN1c(cccc1)c1F)(=O)=O

InChI

InChI=1S/C25H31FN4O3S/c26-22-4-1-2-5-24(22)29-16-14-28(15-17-29)12-3-11-27-34(32,33)21-8-9-23-20(18-21)10-13-30(23)25(31)19-6-7-19/h1-2,4-5,8-9,18-19,27H,3,6-7,10-17H2

InChI Key

XJCWWDJRYKSPBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

3.172

Water Solubility, LogSw

-3.85

Polar Surface Area

64.982

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

C361-0854 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C361-0854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C361-0854?
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What is the minimum amount of C361-0854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C361-0854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C361-0854
  • 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 C361-0854 available by request