V006-4417 Screening compound: 4-benzoyl-8-(4-chlorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

V006-4417 Screening compound: 4-benzoyl-8-(4-chlorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
V006-4417 Screening compound: 4-benzoyl-8-(4-chlorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-4417
4-benzoyl-8-(4-chlorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane

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

V006-4417

Molecular Formula

C27H31ClN4O4 (C27 H31 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCN1C(C(COC1(CC2)CCN2C(c(cc2)ccc2Cl)=O)N1C(c1ccccc1)=O)=O

InChI

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

InChI Key

SFJKJSXWLCHMRD-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19814059

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

1.780

Distribution Coefficient, logD

1.586

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

44.40

V006-4417 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V006-4417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-4417?
Check Price and Availability of V006-4417, 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 V006-4417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-4417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-4417
  • 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 V006-4417 available by request