V018-3989 Screening compound: 8-(2,2-dimethylpropanoyl)-4-(3-methylbenzoyl)-N-[(oxolan-2-yl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

V018-3989 Screening compound: 8-(2,2-dimethylpropanoyl)-4-(3-methylbenzoyl)-N-[(oxolan-2-yl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
V018-3989 Screening compound: 8-(2,2-dimethylpropanoyl)-4-(3-methylbenzoyl)-N-[(oxolan-2-yl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-3989
8-(2,2-dimethylpropanoyl)-4-(3-methylbenzoyl)-N-[(oxolan-2-yl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

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

V018-3989

Molecular Formula

C26H37N3O5 (C26 H37 N3 O5)

Compound Name

8-(2,2-dimethylpropanoyl)-4-(3-methylbenzoyl)-N-[(oxolan-2-yl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

8-(22-dimethylpropanoyl)-4-(3-methylbenzoyl)-N-[(oxolan-2-yl)methyl]-1-oxa-48-diazaspiro[4.5]decane-3-carboxamide

SMILES

CC(C)(C)C(N(CC1)CCC11OCC(C(NCC2OCCC2)=O)N1C(c1cc(C)ccc1)=O)=O

InChI

InChI=1S/C26H37N3O5/c1-18-7-5-8-19(15-18)23(31)29-21(22(30)27-16-20-9-6-14-33-20)17-34-26(29)10-12-28(13-11-26)24(32)25(2,3)4/h5,7-8,15,20-21H,6,9-14,16-17H2,1-4H3,(H,27,30)

InChI Key

NMFJQHSGKPDAIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19810559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.953

Distribution Coefficient, logD

1.953

Water Solubility, LogSw

-2.35

Polar Surface Area

72.921

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.40

V018-3989 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V018-3989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-3989?
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What is the minimum amount of V018-3989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-3989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-3989
  • 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 V018-3989 available by request