L349-0668 Screening compound: 2-({4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}sulfanyl)-1-(1-pyrrolidinyl)-1-ethanone

L349-0668 Screening compound: 2-({4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}sulfanyl)-1-(1-pyrrolidinyl)-1-ethanone
L349-0668 Screening compound: 2-({4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}sulfanyl)-1-(1-pyrrolidinyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound L349-0668
2-({4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}sulfanyl)-1-(1-pyrrolidinyl)-1-ethanone

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

L349-0668

Molecular Formula

C16H18N2O3S3 (C16 H18 N2 O3 S3)

Compound Name

2-({4-[(4-methylphenyl)sulfonyl]-1,3-thiazol-5-yl}sulfanyl)-1-(1-pyrrolidinyl)-1-ethanone

IUPAC name

2-{[4-(4-methylbenzenesulfonyl)-13-thiazol-5-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

Cc(cc1)ccc1S(c1c(SCC(N2CCCC2)=O)scn1)(=O)=O

InChI

InChI=1S/C16H18N2O3S3/c1-12-4-6-13(7-5-12)24(20,21)15-16(23-11-17-15)22-10-14(19)18-8-2-3-9-18/h4-7,11H,2-3,8-10H2,1H3

InChI Key

QUXXSOLWUMCESV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15124735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.404

Distribution Coefficient, logD

3.404

Water Solubility, LogSw

-3.62

Polar Surface Area

56.399

Acid Dissociation Constant (pKa)

23.92

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L349-0668 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 L349-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L349-0668?
Check Price and Availability of L349-0668, 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 L349-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L349-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L349-0668
  • 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 L349-0668 available by request