V002-5218 Screening compound: [4-benzoyl-8-(3-chlorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl](4-methylpiperazino)methanone

V002-5218 Screening compound: [4-benzoyl-8-(3-chlorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl](4-methylpiperazino)methanone
V002-5218 Screening compound: [4-benzoyl-8-(3-chlorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl](4-methylpiperazino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5218
[4-benzoyl-8-(3-chlorobenzoyl)-1-oxa-4,8-diazaspiro[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

V002-5218

Molecular Formula

C27H31ClN4O4 (C27 H31 ClN4 O4)

Compound Name

[4-benzoyl-8-(3-chlorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl](4-methylpiperazino)methanone

IUPAC name

4-benzoyl-8-(3-chlorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-48-diazaspiro[4.5]decane

SMILES

CN(CC1)CCN1C(C(COC1(CC2)CCN2C(c2cccc(Cl)c2)=O)N1C(c1ccccc1)=O)=O

InChI

InChI=1S/C27H31ClN4O4/c1-29-14-16-31(17-15-29)26(35)23-19-36-27(32(23)25(34)20-6-3-2-4-7-20)10-12-30(13-11-27)24(33)21-8-5-9-22(28)18-21/h2-9,18,23H,10-17,19H2,1H3/t23-/m1/s1

InChI Key

GZDNXAUDXVDFNO-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19806920

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

511.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.764

Distribution Coefficient, logD

1.570

Water Solubility, LogSw

-2.63

Polar Surface Area

59.707

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

V002-5218 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 V002-5218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5218?
Check Price and Availability of V002-5218, 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 V002-5218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5218
  • 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 V002-5218 available by request