V009-0753 Screening compound: 8-methyl-N-(2-methylpropyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

V009-0753 Screening compound: 8-methyl-N-(2-methylpropyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
V009-0753 Screening compound: 8-methyl-N-(2-methylpropyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0753
8-methyl-N-(2-methylpropyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

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

V009-0753

Molecular Formula

C22H29F3N2O3 (C22 H29 F3 N2 O3)

Compound Name

8-methyl-N-(2-methylpropyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

IUPAC name

8-methyl-N-(2-methylpropyl)-4-[4-(trifluoromethyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

SMILES

CC(C)CNC(C(COC12CCC(C)CC2)N1C(c1ccc(C(F)(F)F)cc1)=O)=O

InChI

InChI=1S/C22H29F3N2O3/c1-14(2)12-26-19(28)18-13-30-21(10-8-15(3)9-11-21)27(18)20(29)16-4-6-17(7-5-16)22(23,24)25/h4-7,14-15,18H,8-13H2,1-3H3,(H,26,28)/t15?,18-,21?/m0/s1

InChI Key

JDTKXSPSCKEDQH-GFBDMGBSSA-N

MDL Number (MFCD)

MFCD19810283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.560

Distribution Coefficient, logD

4.560

Water Solubility, LogSw

-4.34

Polar Surface Area

47.811

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

V009-0753 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V009-0753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0753?
Check Price and Availability of V009-0753, 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 V009-0753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0753
  • 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 V009-0753 available by request