F398-0158 Screening compound: 5-(3-chloro-2-methylbenzenesulfonyl)-2-(4-ethoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine

F398-0158 Screening compound: 5-(3-chloro-2-methylbenzenesulfonyl)-2-(4-ethoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine
F398-0158 Screening compound: 5-(3-chloro-2-methylbenzenesulfonyl)-2-(4-ethoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound F398-0158
5-(3-chloro-2-methylbenzenesulfonyl)-2-(4-ethoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine

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

F398-0158

Molecular Formula

C21H21ClN2O3S2 (C21 H21 ClN2 O3 S2)

Compound Name

5-(3-chloro-2-methylbenzenesulfonyl)-2-(4-ethoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c1nc(CCN(C2)S(c3cccc(Cl)c3C)(=O)=O)c2s1

InChI

InChI=1S/C21H21ClN2O3S2/c1-3-27-16-9-7-15(8-10-16)21-23-18-11-12-24(13-19(18)28-21)29(25,26)20-6-4-5-17(22)14(20)2/h4-10H,3,11-13H2,1-2H3

InChI Key

QYYDPQZDQVCTFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.645

Distribution Coefficient, logD

5.645

Water Solubility, LogSw

-6.03

Polar Surface Area

49.970

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F398-0158 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 F398-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F398-0158?
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What is the minimum amount of F398-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F398-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F398-0158
  • 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 F398-0158 available by request