V029-0529 Screening compound: (4-benzoyl-8-methyl-1-oxa-4-azaspiro[4.5]dec-3-yl)(4-methylpiperazino)methanone

V029-0529 Screening compound: (4-benzoyl-8-methyl-1-oxa-4-azaspiro[4.5]dec-3-yl)(4-methylpiperazino)methanone
V029-0529 Screening compound: (4-benzoyl-8-methyl-1-oxa-4-azaspiro[4.5]dec-3-yl)(4-methylpiperazino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0529
(4-benzoyl-8-methyl-1-oxa-4-azaspiro[4.5]dec-3-yl)(4-methylpiperazino)methanone

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

V029-0529

Molecular Formula

C22H31N3O3 (C22 H31 N3 O3)

Compound Name

(4-benzoyl-8-methyl-1-oxa-4-azaspiro[4.5]dec-3-yl)(4-methylpiperazino)methanone

IUPAC name

4-benzoyl-8-methyl-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4-azaspiro[4.5]decane

SMILES

CC(CC1)CCC11OCC(C(N2CCN(C)CC2)=O)N1C(c1ccccc1)=O

InChI

InChI=1S/C22H31N3O3/c1-17-8-10-22(11-9-17)25(20(26)18-6-4-3-5-7-18)19(16-28-22)21(27)24-14-12-23(2)13-15-24/h3-7,17,19H,8-16H2,1-2H3/t17?,19-,22?/m0/s1

InChI Key

XRSGIRCGBNWSFP-OZWAEMERSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.228

Distribution Coefficient, logD

2.034

Water Solubility, LogSw

-2.32

Polar Surface Area

43.251

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

V029-0529 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V029-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0529?
Check Price and Availability of V029-0529, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V029-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0529
  • 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 V029-0529 available by request