V017-8948 Screening compound: 2-cyclopentyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

V017-8948 Screening compound: 2-cyclopentyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
V017-8948 Screening compound: 2-cyclopentyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8948
2-cyclopentyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

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

V017-8948

Molecular Formula

C30H39N3O2 (C30 H39 N3 O2)

Compound Name

2-cyclopentyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

IUPAC name

2-cyclopentyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]-N-(1234-tetrahydronaphthalen-1-yl)acetamide

SMILES

O=C(CCc1ccccc1)N(CC1)CCN1C(C1CCCC1)C(NC(CCC1)c2c1cccc2)=O

InChI

InChI=1S/C30H39N3O2/c34-28(18-17-23-9-2-1-3-10-23)32-19-21-33(22-20-32)29(25-12-4-5-13-25)30(35)31-27-16-8-14-24-11-6-7-15-26(24)27/h1-3,6-7,9-11,15,25,27,29H,4-5,8,12-14,16-22H2,(H,31,35)

InChI Key

SVNJQCYZTIGTSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19879719

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

473.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.562

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.50

Polar Surface Area

44.008

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.30

V017-8948 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Structure:
  • 3D
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V017-8948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8948?
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What is the minimum amount of V017-8948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8948
  • 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 V017-8948 available by request