8017-4499 Screening compound: 1-(naphthalen-2-yloxy)-3-[4-(piperidine-1-sulfonyl)piperazin-1-yl]propan-2-ol

8017-4499 Screening compound: 1-(naphthalen-2-yloxy)-3-[4-(piperidine-1-sulfonyl)piperazin-1-yl]propan-2-ol
8017-4499 Screening compound: 1-(naphthalen-2-yloxy)-3-[4-(piperidine-1-sulfonyl)piperazin-1-yl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4499
1-(naphthalen-2-yloxy)-3-[4-(piperidine-1-sulfonyl)piperazin-1-yl]propan-2-ol

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

8017-4499

Molecular Formula

C22H31N3O4S (C22 H31 N3 O4 S)

Compound Name

1-(naphthalen-2-yloxy)-3-[4-(piperidine-1-sulfonyl)piperazin-1-yl]propan-2-ol

IUPAC name

1-(naphthalen-2-yloxy)-3-[4-(piperidine-1-sulfonyl)piperazin-1-yl]propan-2-ol

SMILES

OC(CN(CC1)CCN1S(N1CCCCC1)(=O)=O)COc1cc2ccccc2cc1

InChI

InChI=1S/C22H31N3O4S/c26-21(18-29-22-9-8-19-6-2-3-7-20(19)16-22)17-23-12-14-25(15-13-23)30(27,28)24-10-4-1-5-11-24/h2-3,6-9,16,21,26H,1,4-5,10-15,17-18H2/t21-/m0/s1

InChI Key

SSAUKRAQNSZZFD-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06016950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.685

Distribution Coefficient, logD

2.644

Water Solubility, LogSw

-3.13

Polar Surface Area

61.743

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

8017-4499 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 8017-4499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4499?
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What is the minimum amount of 8017-4499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4499
  • 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 8017-4499 available by request