L598-0087 Screening compound: 1-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]-1,2,3,4-tetrahydroquinoline

L598-0087 Screening compound: 1-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]-1,2,3,4-tetrahydroquinoline
L598-0087 Screening compound: 1-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound L598-0087
1-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]-1,2,3,4-tetrahydroquinoline

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

L598-0087

Molecular Formula

C20H20N2O2S2 (C20 H20 N2 O2 S2)

Compound Name

1-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]-1,2,3,4-tetrahydroquinoline

IUPAC name

1-[2-methyl-5-(2-methyl-13-thiazol-4-yl)benzenesulfonyl]-1234-tetrahydroquinoline

SMILES

Cc1nc(-c2cc(S(N(CCC3)c4c3cccc4)(=O)=O)c(C)cc2)cs1

InChI

InChI=1S/C20H20N2O2S2/c1-14-9-10-17(18-13-25-15(2)21-18)12-20(14)26(23,24)22-11-5-7-16-6-3-4-8-19(16)22/h3-4,6,8-10,12-13H,5,7,11H2,1-2H3

InChI Key

NJZDCTITJCNSOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.735

Distribution Coefficient, logD

4.735

Water Solubility, LogSw

-4.48

Polar Surface Area

40.931

Acid Dissociation Constant (pKa)

24.75

Base Dissociation Constant (pKb)

1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L598-0087 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L598-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L598-0087?
Check Price and Availability of L598-0087, 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 L598-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L598-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L598-0087
  • 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 L598-0087 available by request