L598-0117 Screening compound: 1-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]-4-phenyl-1,2,3,6-tetrahydropyridine

L598-0117 Screening compound: 1-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]-4-phenyl-1,2,3,6-tetrahydropyridine
L598-0117 Screening compound: 1-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]-4-phenyl-1,2,3,6-tetrahydropyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound L598-0117
1-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]-4-phenyl-1,2,3,6-tetrahydropyridine

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

L598-0117

Molecular Formula

C22H22N2O2S2 (C22 H22 N2 O2 S2)

Compound Name

1-[2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl]-4-phenyl-1,2,3,6-tetrahydropyridine

IUPAC name

1-[2-methyl-5-(2-methyl-13-thiazol-4-yl)benzenesulfonyl]-4-phenyl-1236-tetrahydropyridine

SMILES

Cc1nc(-c2cc(S(N(CC3)CC=C3c3ccccc3)(=O)=O)c(C)cc2)cs1

InChI

InChI=1S/C22H22N2O2S2/c1-16-8-9-20(21-15-27-17(2)23-21)14-22(16)28(25,26)24-12-10-19(11-13-24)18-6-4-3-5-7-18/h3-10,14-15H,11-13H2,1-2H3

InChI Key

BAPCJEGKAQVCGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15131954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.585

Distribution Coefficient, logD

5.585

Water Solubility, LogSw

-5.58

Polar Surface Area

41.218

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L598-0117 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L598-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L598-0117?
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What is the minimum amount of L598-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L598-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L598-0117
  • 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 L598-0117 available by request