L806-2131 Screening compound: 8-[1-(4-methylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

L806-2131 Screening compound: 8-[1-(4-methylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
L806-2131 Screening compound: 8-[1-(4-methylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-2131
8-[1-(4-methylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]-1,4-dioxa-8-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

L806-2131

Molecular Formula

C22H23N5O3 (C22 H23 N5 O3)

Compound Name

8-[1-(4-methylphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[1-(4-methylphenyl)-5-(pyridin-3-yl)-1H-123-triazole-4-carbonyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

Cc(cc1)ccc1-n1nnc(C(N(CC2)CCC22OCCO2)=O)c1-c1cnccc1

InChI

InChI=1S/C22H23N5O3/c1-16-4-6-18(7-5-16)27-20(17-3-2-10-23-15-17)19(24-25-27)21(28)26-11-8-22(9-12-26)29-13-14-30-22/h2-7,10,15H,8-9,11-14H2,1H3

InChI Key

DXWFFHACYWSROZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.739

Distribution Coefficient, logD

1.739

Water Solubility, LogSw

-1.06

Polar Surface Area

66.442

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

L806-2131 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with L806-2131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-2131?
Check Price and Availability of L806-2131, 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 L806-2131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-2131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-2131
  • 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 L806-2131 available by request