V004-5244 Screening compound: 3-(4-ethylpiperazine-1-carbonyl)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane

V004-5244 Screening compound: 3-(4-ethylpiperazine-1-carbonyl)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane
V004-5244 Screening compound: 3-(4-ethylpiperazine-1-carbonyl)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5244
3-(4-ethylpiperazine-1-carbonyl)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[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

V004-5244

Molecular Formula

C23H32FN3O3 (C23 H32 FN3 O3)

Compound Name

3-(4-ethylpiperazine-1-carbonyl)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane

IUPAC name

3-(4-ethylpiperazine-1-carbonyl)-4-(2-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane

SMILES

CCN(CC1)CCN1C(C(COC12CCC(C)CC2)N1C(c(cccc1)c1F)=O)=O

InChI

InChI=1S/C23H32FN3O3/c1-3-25-12-14-26(15-13-25)22(29)20-16-30-23(10-8-17(2)9-11-23)27(20)21(28)18-6-4-5-7-19(18)24/h4-7,17,20H,3,8-16H2,1-2H3/t17?,20-,23?/m0/s1

InChI Key

YJRXUQMYODTWGT-GTPZEUEISA-N

MDL Number (MFCD)

MFCD19973029

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

417.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.898

Distribution Coefficient, logD

2.642

Water Solubility, LogSw

-3.41

Polar Surface Area

43.311

Acid Dissociation Constant (pKa)

20.05

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

V004-5244 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V004-5244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5244?
Check Price and Availability of V004-5244, 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 V004-5244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5244
  • 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 V004-5244 available by request