V029-0550 Screening compound: 3-(morpholine-4-carbonyl)-4-[3-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane

V029-0550 Screening compound: 3-(morpholine-4-carbonyl)-4-[3-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane
V029-0550 Screening compound: 3-(morpholine-4-carbonyl)-4-[3-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0550
3-(morpholine-4-carbonyl)-4-[3-(trifluoromethyl)benzoyl]-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

V029-0550

Molecular Formula

C21H25F3N2O4 (C21 H25 F3 N2 O4)

Compound Name

3-(morpholine-4-carbonyl)-4-[3-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane

IUPAC name

3-(morpholine-4-carbonyl)-4-[3-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane

SMILES

O=C(C(COC12CCCCC2)N1C(c1cccc(C(F)(F)F)c1)=O)N1CCOCC1

InChI

InChI=1S/C21H25F3N2O4/c22-21(23,24)16-6-4-5-15(13-16)18(27)26-17(19(28)25-9-11-29-12-10-25)14-30-20(26)7-2-1-3-8-20/h4-6,13,17H,1-3,7-12,14H2

InChI Key

JSODDJSPHDGUOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19774353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.44

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

2.535

Distribution Coefficient, logD

2.535

Water Solubility, LogSw

-2.71

Polar Surface Area

47.683

Acid Dissociation Constant (pKa)

20.29

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

V029-0550 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V029-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0550?
Check Price and Availability of V029-0550, 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 V029-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0550
  • 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 V029-0550 available by request