V026-1030 Screening compound: 3-benzyl-1-[2-(pyridin-2-yl)ethyl]-8-(quinoline-8-sulfonyl)-1,4,8-triazaspiro[4.5]decan-2-one

V026-1030 Screening compound: 3-benzyl-1-[2-(pyridin-2-yl)ethyl]-8-(quinoline-8-sulfonyl)-1,4,8-triazaspiro[4.5]decan-2-one
V026-1030 Screening compound: 3-benzyl-1-[2-(pyridin-2-yl)ethyl]-8-(quinoline-8-sulfonyl)-1,4,8-triazaspiro[4.5]decan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-1030
3-benzyl-1-[2-(pyridin-2-yl)ethyl]-8-(quinoline-8-sulfonyl)-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

V026-1030

Molecular Formula

C30H31N5O3S (C30 H31 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(CCc2ncccc2)C(CC2)(CCN2S(c2cccc3cccnc23)(=O)=O)NC1Cc1ccccc1

InChI

InChI=1S/C30H31N5O3S/c36-29-26(22-23-8-2-1-3-9-23)33-30(35(29)19-14-25-12-4-5-17-31-25)15-20-34(21-16-30)39(37,38)27-13-6-10-24-11-7-18-32-28(24)27/h1-13,17-18,26,33H,14-16,19-22H2/t26-/m1/s1

InChI Key

RKKNBBWFNSOVCV-AREMUKBSSA-N

MDL Number (MFCD)

MFCD19815086

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

541.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.175

Distribution Coefficient, logD

3.128

Water Solubility, LogSw

-3.24

Polar Surface Area

79.166

Acid Dissociation Constant (pKa)

15.16

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

V026-1030 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V026-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-1030?
Check Price and Availability of V026-1030, 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 V026-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-1030
  • 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 V026-1030 available by request