8020-0229 Screening compound: 7-(3-chlorophenyl)-3-(3-fluorophenyl)-6,7-dihydroisothiazolo[4,5-b]pyridin-5(4H)-one

8020-0229 Screening compound: 7-(3-chlorophenyl)-3-(3-fluorophenyl)-6,7-dihydroisothiazolo[4,5-b]pyridin-5(4H)-one
8020-0229 Screening compound: 7-(3-chlorophenyl)-3-(3-fluorophenyl)-6,7-dihydroisothiazolo[4,5-b]pyridin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0229
7-(3-chlorophenyl)-3-(3-fluorophenyl)-6,7-dihydroisothiazolo[4,5-b]pyridin-5(4H)-one

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

8020-0229

Molecular Formula

C18H12ClFN2OS (C18 H12 ClFN2 OS)

Compound Name

7-(3-chlorophenyl)-3-(3-fluorophenyl)-6,7-dihydroisothiazolo[4,5-b]pyridin-5(4H)-one

IUPAC name

7-(3-chlorophenyl)-3-(3-fluorophenyl)-4H5H6H7H-[12]thiazolo[45-b]pyridin-5-one

SMILES

O=C(CC1c2cccc(Cl)c2)Nc2c1snc2-c1cc(F)ccc1

InChI

InChI=1S/C18H12ClFN2OS/c19-12-5-1-3-10(7-12)14-9-15(23)21-17-16(22-24-18(14)17)11-4-2-6-13(20)8-11/h1-8,14H,9H2,(H,21,23)/t14-/m1/s1

InChI Key

WZNQXJCCCGABOL-CQSZACIVSA-N

MDL Number (MFCD)

MFCD12034660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.352

Distribution Coefficient, logD

4.352

Water Solubility, LogSw

-4.59

Polar Surface Area

33.526

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

-5.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.11

References: we are preparing a list of scientific research reports with 8020-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0229?
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What is the minimum amount of 8020-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0229
  • 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 8020-0229 available by request