L102-0394 Screening compound: 2-{2-[1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline

L102-0394 Screening compound: 2-{2-[1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline
L102-0394 Screening compound: 2-{2-[1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound L102-0394
2-{2-[1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline

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

L102-0394

Molecular Formula

C25H25N5OS (C25 H25 N5 OS)

Compound Name

2-{2-[1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{2-[1-(34-dimethylphenyl)-5-methyl-1H-123-triazol-4-yl]-4-methyl-13-thiazole-5-carbonyl}-1234-tetrahydroisoquinoline

SMILES

Cc1c(-c2nc(C)c(C(N(CC3)Cc4c3cccc4)=O)s2)nnn1-c1cc(C)c(C)cc1

InChI

InChI=1S/C25H25N5OS/c1-15-9-10-21(13-16(15)2)30-18(4)22(27-28-30)24-26-17(3)23(32-24)25(31)29-12-11-19-7-5-6-8-20(19)14-29/h5-10,13H,11-12,14H2,1-4H3

InChI Key

HLSODOZNISBVMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.376

Distribution Coefficient, logD

5.376

Water Solubility, LogSw

-5.35

Polar Surface Area

53.702

Acid Dissociation Constant (pKa)

23.14

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L102-0394 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L102-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L102-0394?
Check Price and Availability of L102-0394, 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 L102-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L102-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L102-0394
  • 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 L102-0394 available by request