F398-0486 Screening compound: 3-methylphenyl [2-phenyl-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl] sulfone

F398-0486 Screening compound: 3-methylphenyl [2-phenyl-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl] sulfone
F398-0486 Screening compound: 3-methylphenyl [2-phenyl-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound F398-0486
3-methylphenyl [2-phenyl-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl] sulfone

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

F398-0486

Molecular Formula

C19H18N2O2S2 (C19 H18 N2 O2 S2)

Compound Name

3-methylphenyl [2-phenyl-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl] sulfone

IUPAC name

5-(3-methylbenzenesulfonyl)-2-phenyl-4H5H6H7H-[13]thiazolo[54-c]pyridine

SMILES

Cc1cccc(S(N(CC2)Cc3c2nc(-c2ccccc2)s3)(=O)=O)c1

InChI

InChI=1S/C19H18N2O2S2/c1-14-6-5-9-16(12-14)25(22,23)21-11-10-17-18(13-21)24-19(20-17)15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3

InChI Key

WCKSJALXJNIEPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.748

Distribution Coefficient, logD

4.748

Water Solubility, LogSw

-4.55

Polar Surface Area

42.846

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

F398-0486 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F398-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F398-0486?
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What is the minimum amount of F398-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F398-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F398-0486
  • 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 F398-0486 available by request