8017-0571 Screening compound: 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one

8017-0571 Screening compound: 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one
8017-0571 Screening compound: 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-0571
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-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

8017-0571

Molecular Formula

C21H24ClN3O (C21 H24 ClN3 O)

Compound Name

2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one

IUPAC name

2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-methyl-23-dihydro-1H-indol-1-yl)ethan-1-one

SMILES

CC(C1)N(C(CN(CC2)CCN2c2cccc(Cl)c2)=O)c2c1cccc2

InChI

InChI=1S/C21H24ClN3O/c1-16-13-17-5-2-3-8-20(17)25(16)21(26)15-23-9-11-24(12-10-23)19-7-4-6-18(22)14-19/h2-8,14,16H,9-13,15H2,1H3/t16-/m0/s1

InChI Key

FOJRNYUTBTVDFE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06013738

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

369.89

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.550

Distribution Coefficient, logD

3.550

Water Solubility, LogSw

-3.62

Polar Surface Area

21.593

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

8017-0571 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-0571 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8017-0571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-0571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-0571
  • 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 8017-0571 available by request