V003-3128 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-methylbenzoyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

V003-3128 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-methylbenzoyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
V003-3128 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-methylbenzoyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3128
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-methylbenzoyl)-8-(3-methylbutanoyl)-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

V003-3128

Molecular Formula

C29H35N3O6 (C29 H35 N3 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(3-methylbenzoyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-(3-methylbenzoyl)-8-(3-methylbutanoyl)-1-oxa-48-diazaspiro[4.5]decane-3-carboxamide

SMILES

CC(C)CC(N(CC1)CCC11OCC(C(NCc(cc2)cc3c2OCO3)=O)N1C(c1cc(C)ccc1)=O)=O

InChI

InChI=1S/C29H35N3O6/c1-19(2)13-26(33)31-11-9-29(10-12-31)32(28(35)22-6-4-5-20(3)14-22)23(17-38-29)27(34)30-16-21-7-8-24-25(15-21)37-18-36-24/h4-8,14-15,19,23H,9-13,16-18H2,1-3H3,(H,30,34)/t23-/m0/s1

InChI Key

PBFZTQRWVNHJLJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19806934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.896

Distribution Coefficient, logD

2.896

Water Solubility, LogSw

-3.21

Polar Surface Area

80.855

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.30

V003-3128 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 V003-3128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3128?
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What is the minimum amount of V003-3128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3128
  • 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 V003-3128 available by request