V028-0445 Screening compound: 4-(3-methoxybenzoyl)-8-(2-phenylacetyl)-N-[(pyridin-3-yl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

V028-0445 Screening compound: 4-(3-methoxybenzoyl)-8-(2-phenylacetyl)-N-[(pyridin-3-yl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
V028-0445 Screening compound: 4-(3-methoxybenzoyl)-8-(2-phenylacetyl)-N-[(pyridin-3-yl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0445
4-(3-methoxybenzoyl)-8-(2-phenylacetyl)-N-[(pyridin-3-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

V028-0445

Molecular Formula

C30H32N4O5 (C30 H32 N4 O5)

Compound Name

4-(3-methoxybenzoyl)-8-(2-phenylacetyl)-N-[(pyridin-3-yl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

4-(3-methoxybenzoyl)-8-(2-phenylacetyl)-N-[(pyridin-3-yl)methyl]-1-oxa-48-diazaspiro[4.5]decane-3-carboxamide

SMILES

COc1cccc(C(N2C(CC3)(CCN3C(Cc3ccccc3)=O)OCC2C(NCc2cnccc2)=O)=O)c1

InChI

InChI=1S/C30H32N4O5/c1-38-25-11-5-10-24(18-25)29(37)34-26(28(36)32-20-23-9-6-14-31-19-23)21-39-30(34)12-15-33(16-13-30)27(35)17-22-7-3-2-4-8-22/h2-11,14,18-19,26H,12-13,15-17,20-21H2,1H3,(H,32,36)/t26-/m0/s1

InChI Key

GQJBRMHCOSXYDI-SANMLTNESA-N

MDL Number (MFCD)

MFCD19817919

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

528.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.764

Distribution Coefficient, logD

1.762

Water Solubility, LogSw

-1.57

Polar Surface Area

80.530

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

V028-0445 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V028-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0445?
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What is the minimum amount of V028-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0445
  • 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 V028-0445 available by request