F398-0091 Screening compound: 2-(4-ethoxyphenyl)-5-(2,4,6-trimethylbenzenesulfonyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine

F398-0091 Screening compound: 2-(4-ethoxyphenyl)-5-(2,4,6-trimethylbenzenesulfonyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine
F398-0091 Screening compound: 2-(4-ethoxyphenyl)-5-(2,4,6-trimethylbenzenesulfonyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound F398-0091
2-(4-ethoxyphenyl)-5-(2,4,6-trimethylbenzenesulfonyl)-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

F398-0091

Molecular Formula

C23H26N2O3S2 (C23 H26 N2 O3 S2)

Compound Name

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

IUPAC name

2-(4-ethoxyphenyl)-5-(246-trimethylbenzenesulfonyl)-4H5H6H7H-[13]thiazolo[54-c]pyridine

SMILES

CCOc(cc1)ccc1-c1nc(CCN(C2)S(c3c(C)cc(C)cc3C)(=O)=O)c2s1

InChI

InChI=1S/C23H26N2O3S2/c1-5-28-19-8-6-18(7-9-19)23-24-20-10-11-25(14-21(20)29-23)30(26,27)22-16(3)12-15(2)13-17(22)4/h6-9,12-13H,5,10-11,14H2,1-4H3

InChI Key

NWJYSJDAMZYAKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.6

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

6.071

Distribution Coefficient, logD

6.071

Water Solubility, LogSw

-5.53

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

34.80

References: we are preparing a list of scientific research reports with F398-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F398-0091?
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What is the minimum amount of F398-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F398-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F398-0091
  • 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 F398-0091 available by request