L598-1646 Screening compound: 4-[4-ethoxy-3-(pyrrolidine-1-sulfonyl)phenyl]-2-methyl-1,3-thiazole

L598-1646 Screening compound: 4-[4-ethoxy-3-(pyrrolidine-1-sulfonyl)phenyl]-2-methyl-1,3-thiazole
L598-1646 Screening compound: 4-[4-ethoxy-3-(pyrrolidine-1-sulfonyl)phenyl]-2-methyl-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L598-1646
4-[4-ethoxy-3-(pyrrolidine-1-sulfonyl)phenyl]-2-methyl-1,3-thiazole

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

L598-1646

Molecular Formula

C16H20N2O3S2 (C16 H20 N2 O3 S2)

Compound Name

4-[4-ethoxy-3-(pyrrolidine-1-sulfonyl)phenyl]-2-methyl-1,3-thiazole

IUPAC name

4-[4-ethoxy-3-(pyrrolidine-1-sulfonyl)phenyl]-2-methyl-13-thiazole

SMILES

CCOc(ccc(-c1csc(C)n1)c1)c1S(N1CCCC1)(=O)=O

InChI

InChI=1S/C16H20N2O3S2/c1-3-21-15-7-6-13(14-11-22-12(2)17-14)10-16(15)23(19,20)18-8-4-5-9-18/h6-7,10-11H,3-5,8-9H2,1-2H3

InChI Key

QJJLOOKJPOGSLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27464653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.449

Distribution Coefficient, logD

3.449

Water Solubility, LogSw

-3.63

Polar Surface Area

49.066

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

L598-1646 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L598-1646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L598-1646?
Check Price and Availability of L598-1646, 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 L598-1646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L598-1646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L598-1646
  • 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 L598-1646 available by request