V026-2254 Screening compound: 3-benzyl-1-[2-(pyridin-2-yl)ethyl]-8-[3-(trifluoromethyl)benzenesulfonyl]-1,4,8-triazaspiro[4.5]decan-2-one

V026-2254 Screening compound: 3-benzyl-1-[2-(pyridin-2-yl)ethyl]-8-[3-(trifluoromethyl)benzenesulfonyl]-1,4,8-triazaspiro[4.5]decan-2-one
V026-2254 Screening compound: 3-benzyl-1-[2-(pyridin-2-yl)ethyl]-8-[3-(trifluoromethyl)benzenesulfonyl]-1,4,8-triazaspiro[4.5]decan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-2254
3-benzyl-1-[2-(pyridin-2-yl)ethyl]-8-[3-(trifluoromethyl)benzenesulfonyl]-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

V026-2254

Molecular Formula

C28H29F3N4O3S (C28 H29 F3 N4 O3 S)

Compound Name

3-benzyl-1-[2-(pyridin-2-yl)ethyl]-8-[3-(trifluoromethyl)benzenesulfonyl]-1,4,8-triazaspiro[4.5]decan-2-one

IUPAC name

3-benzyl-1-[2-(pyridin-2-yl)ethyl]-8-[3-(trifluoromethyl)benzenesulfonyl]-148-triazaspiro[4.5]decan-2-one

SMILES

O=C1N(CCc2ncccc2)C(CC2)(CCN2S(c2cc(C(F)(F)F)ccc2)(=O)=O)NC1Cc1ccccc1

InChI

InChI=1S/C28H29F3N4O3S/c29-28(30,31)22-9-6-11-24(20-22)39(37,38)34-17-13-27(14-18-34)33-25(19-21-7-2-1-3-8-21)26(36)35(27)16-12-23-10-4-5-15-32-23/h1-11,15,20,25,33H,12-14,16-19H2/t25-/m1/s1

InChI Key

TVKDWJZMKZBPRM-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19815079

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

558.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.274

Distribution Coefficient, logD

4.227

Water Solubility, LogSw

-4.34

Polar Surface Area

69.632

Acid Dissociation Constant (pKa)

15.16

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.71

V026-2254 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V026-2254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-2254?
Check Price and Availability of V026-2254, 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 V026-2254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-2254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-2254
  • 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 V026-2254 available by request