L741-2813 Screening compound: 8-[1-(3-ethylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

L741-2813 Screening compound: 8-[1-(3-ethylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
L741-2813 Screening compound: 8-[1-(3-ethylphenyl)-5-(pyridin-4-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 L741-2813
8-[1-(3-ethylphenyl)-5-(pyridin-4-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

L741-2813

Molecular Formula

C23H25N5O3 (C23 H25 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc1cccc(-n2nnc(C(N(CC3)CCC33OCCO3)=O)c2-c2ccncc2)c1

InChI

InChI=1S/C23H25N5O3/c1-2-17-4-3-5-19(16-17)28-21(18-6-10-24-11-7-18)20(25-26-28)22(29)27-12-8-23(9-13-27)30-14-15-31-23/h3-7,10-11,16H,2,8-9,12-15H2,1H3

InChI Key

ISOSFHLCXAQPOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27473613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.169

Distribution Coefficient, logD

2.169

Water Solubility, LogSw

-2.13

Polar Surface Area

66.353

Acid Dissociation Constant (pKa)

25.62

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

L741-2813 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with L741-2813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L741-2813?
Check Price and Availability of L741-2813, 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 L741-2813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L741-2813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L741-2813
  • 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 L741-2813 available by request