L806-4810 Screening compound: 4-[1-(4-ethoxyphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]thiomorpholine

L806-4810 Screening compound: 4-[1-(4-ethoxyphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]thiomorpholine
L806-4810 Screening compound: 4-[1-(4-ethoxyphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound L806-4810
4-[1-(4-ethoxyphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]thiomorpholine

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

L806-4810

Molecular Formula

C20H21N5O2S (C20 H21 N5 O2 S)

Compound Name

4-[1-(4-ethoxyphenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carbonyl]thiomorpholine

IUPAC name

4-[1-(4-ethoxyphenyl)-5-(pyridin-3-yl)-1H-123-triazole-4-carbonyl]thiomorpholine

SMILES

CCOc(cc1)ccc1-n1nnc(C(N2CCSCC2)=O)c1-c1cnccc1

InChI

InChI=1S/C20H21N5O2S/c1-2-27-17-7-5-16(6-8-17)25-19(15-4-3-9-21-14-15)18(22-23-25)20(26)24-10-12-28-13-11-24/h3-9,14H,2,10-13H2,1H3

InChI Key

LBXHSMAFCPLVQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27476370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.046

Distribution Coefficient, logD

2.046

Water Solubility, LogSw

-1.85

Polar Surface Area

59.129

Acid Dissociation Constant (pKa)

28.22

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L806-4810 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L806-4810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L806-4810?
Check Price and Availability of L806-4810, 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 L806-4810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L806-4810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L806-4810
  • 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 L806-4810 available by request