V027-8237 Screening compound: 8-(3-fluorobenzoyl)-1-(prop-2-en-1-yl)-1,4,8-triazaspiro[4.5]decan-2-one

V027-8237 Screening compound: 8-(3-fluorobenzoyl)-1-(prop-2-en-1-yl)-1,4,8-triazaspiro[4.5]decan-2-one
V027-8237 Screening compound: 8-(3-fluorobenzoyl)-1-(prop-2-en-1-yl)-1,4,8-triazaspiro[4.5]decan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8237
8-(3-fluorobenzoyl)-1-(prop-2-en-1-yl)-1,4,8-triazaspiro[4.5]decan-2-one

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

V027-8237

Molecular Formula

C17H20FN3O2 (C17 H20 FN3 O2)

Compound Name

8-(3-fluorobenzoyl)-1-(prop-2-en-1-yl)-1,4,8-triazaspiro[4.5]decan-2-one

IUPAC name

8-(3-fluorobenzoyl)-1-(prop-2-en-1-yl)-148-triazaspiro[4.5]decan-2-one

SMILES

C=CCN(C(CC1)(CCN1C(c1cccc(F)c1)=O)NC1)C1=O

InChI

InChI=1S/C17H20FN3O2/c1-2-8-21-15(22)12-19-17(21)6-9-20(10-7-17)16(23)13-4-3-5-14(18)11-13/h2-5,11,19H,1,6-10,12H2

InChI Key

CATWOSCSROAJFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19816939

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

317.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.956

Distribution Coefficient, logD

-0.949

Water Solubility, LogSw

-1.87

Polar Surface Area

45.084

Acid Dissociation Constant (pKa)

18.06

Base Dissociation Constant (pKb)

9.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

V027-8237 in Drug Discovery

Included in Screening Libraries

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

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

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V027-8237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8237?
Check Price and Availability of V027-8237, 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 V027-8237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8237
  • 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 V027-8237 available by request