F186-0572 Screening compound: N-(4-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide

F186-0572 Screening compound: N-(4-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
F186-0572 Screening compound: N-(4-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F186-0572
N-(4-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide

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

F186-0572

Molecular Formula

C22H21N3O6S (C22 H21 N3 O6 S)

Compound Name

N-(4-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide

IUPAC name

N-(4-{[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]methyl}-13-thiazol-2-yl)-34-dimethoxybenzamide

SMILES

COc(ccc(C(Nc1nc(CC(Nc(cc2)cc3c2OCCO3)=O)cs1)=O)c1)c1OC

InChI

InChI=1S/C22H21N3O6S/c1-28-16-5-3-13(9-18(16)29-2)21(27)25-22-24-15(12-32-22)11-20(26)23-14-4-6-17-19(10-14)31-8-7-30-17/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,26)(H,24,25,27)

InChI Key

YIJUNXKCLVWKEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08535407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.336

Distribution Coefficient, logD

2.328

Water Solubility, LogSw

-3.05

Polar Surface Area

87.833

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

F186-0572 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Immune system
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F186-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F186-0572?
Check Price and Availability of F186-0572, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F186-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F186-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F186-0572
  • 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 F186-0572 available by request