8018-3286 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one

8018-3286 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
8018-3286 Screening compound: 2-(2H-1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3286
2-(2H-1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-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

8018-3286

Molecular Formula

C16H12FNO3S (C16 H12 FNO3 S)

Compound Name

2-(2H-1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one

IUPAC name

2-(2H-13-benzodioxol-5-yl)-3-(3-fluorophenyl)-13-thiazolidin-4-one

SMILES

O=C(CSC1c(cc2)cc3c2OCO3)N1c1cc(F)ccc1

InChI

InChI=1S/C16H12FNO3S/c17-11-2-1-3-12(7-11)18-15(19)8-22-16(18)10-4-5-13-14(6-10)21-9-20-13/h1-7,16H,8-9H2/t16-/m0/s1

InChI Key

XXRNHZZVDNQNPS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD07657999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.278

Distribution Coefficient, logD

3.278

Water Solubility, LogSw

-3.39

Polar Surface Area

33.248

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

-10.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

8018-3286 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8018-3286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3286?
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What is the minimum amount of 8018-3286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3286
  • 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 8018-3286 available by request