L102-0616 Screening compound: 1-{2-[1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl}piperidine-4-carboxamide

L102-0616 Screening compound: 1-{2-[1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl}piperidine-4-carboxamide
L102-0616 Screening compound: 1-{2-[1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L102-0616
1-{2-[1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl}piperidine-4-carboxamide

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

L102-0616

Molecular Formula

C22H26N6O3S (C22 H26 N6 O3 S)

Compound Name

1-{2-[1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl}piperidine-4-carboxamide

IUPAC name

1-{2-[1-(4-ethoxyphenyl)-5-methyl-1H-123-triazol-4-yl]-4-methyl-13-thiazole-5-carbonyl}piperidine-4-carboxamide

SMILES

CCOc(cc1)ccc1-n1nnc(-c2nc(C)c(C(N(CC3)CCC3C(N)=O)=O)s2)c1C

InChI

InChI=1S/C22H26N6O3S/c1-4-31-17-7-5-16(6-8-17)28-14(3)18(25-26-28)21-24-13(2)19(32-21)22(30)27-11-9-15(10-12-27)20(23)29/h5-8,15H,4,9-12H2,1-3H3,(H2,23,29)

InChI Key

GWQJWZILOBYQOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.128

Distribution Coefficient, logD

2.128

Water Solubility, LogSw

-2.61

Polar Surface Area

95.223

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

L102-0616 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with L102-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L102-0616?
Check Price and Availability of L102-0616, 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 L102-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L102-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L102-0616
  • 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 L102-0616 available by request