6101-0012 Screening compound: 2-[3-(benzyloxy)phenyl]-3-(4-fluorobenzenesulfonyl)-1,3-thiazolidine

6101-0012 Screening compound: 2-[3-(benzyloxy)phenyl]-3-(4-fluorobenzenesulfonyl)-1,3-thiazolidine
6101-0012 Screening compound: 2-[3-(benzyloxy)phenyl]-3-(4-fluorobenzenesulfonyl)-1,3-thiazolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6101-0012
2-[3-(benzyloxy)phenyl]-3-(4-fluorobenzenesulfonyl)-1,3-thiazolidine

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

6101-0012

Molecular Formula

C22H20FNO3S2 (C22 H20 FNO3 S2)

Compound Name

2-[3-(benzyloxy)phenyl]-3-(4-fluorobenzenesulfonyl)-1,3-thiazolidine

IUPAC name

2-[3-(benzyloxy)phenyl]-3-(4-fluorobenzenesulfonyl)-13-thiazolidine

SMILES

O=S(c(cc1)ccc1F)(N1C(c2cc(OCc3ccccc3)ccc2)SCC1)=O

InChI

InChI=1S/C22H20FNO3S2/c23-19-9-11-21(12-10-19)29(25,26)24-13-14-28-22(24)18-7-4-8-20(15-18)27-16-17-5-2-1-3-6-17/h1-12,15,22H,13-14,16H2/t22-/m0/s1

InChI Key

FKNHJOKJJMHXNZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03731625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.865

Distribution Coefficient, logD

4.865

Water Solubility, LogSw

-5.12

Polar Surface Area

39.744

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

-9.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

6101-0012 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 6101-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6101-0012?
Check Price and Availability of 6101-0012, 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 6101-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6101-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6101-0012
  • 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 6101-0012 available by request