V021-3131 Screening compound: 4-benzoyl-N-bicyclo[2.2.1]hept-2-yl-8-(2-furylcarbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

V021-3131 Screening compound: 4-benzoyl-N-bicyclo[2.2.1]hept-2-yl-8-(2-furylcarbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
V021-3131 Screening compound: 4-benzoyl-N-bicyclo[2.2.1]hept-2-yl-8-(2-furylcarbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3131
4-benzoyl-N-bicyclo[2.2.1]hept-2-yl-8-(2-furylcarbonyl)-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

V021-3131

Molecular Formula

C27H31N3O5 (C27 H31 N3 O5)

Compound Name

4-benzoyl-N-bicyclo[2.2.1]hept-2-yl-8-(2-furylcarbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

4-benzoyl-N-{bicyclo[2.2.1]heptan-2-yl}-8-(furan-2-carbonyl)-1-oxa-48-diazaspiro[4.5]decane-3-carboxamide

SMILES

O=C(C(COC1(CC2)CCN2C(c2ccco2)=O)N1C(c1ccccc1)=O)NC1C(CC2)CC2C1

InChI

InChI=1S/C27H31N3O5/c31-24(28-21-16-18-8-9-20(21)15-18)22-17-35-27(30(22)25(32)19-5-2-1-3-6-19)10-12-29(13-11-27)26(33)23-7-4-14-34-23/h1-7,14,18,20-22H,8-13,15-17H2,(H,28,31)

InChI Key

DVBAALIDQLFYDU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.720

Distribution Coefficient, logD

2.720

Water Solubility, LogSw

-3.06

Polar Surface Area

73.342

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

51.85

V021-3131 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V021-3131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3131?
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What is the minimum amount of V021-3131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3131
  • 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 V021-3131 available by request