F186-0796 Screening compound: N-{4-[(butylcarbamoyl)methyl]-1,3-thiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide

F186-0796 Screening compound: N-{4-[(butylcarbamoyl)methyl]-1,3-thiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
F186-0796 Screening compound: N-{4-[(butylcarbamoyl)methyl]-1,3-thiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F186-0796
N-{4-[(butylcarbamoyl)methyl]-1,3-thiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide

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

F186-0796

Molecular Formula

C17H19N3O4S (C17 H19 N3 O4 S)

Compound Name

N-{4-[(butylcarbamoyl)methyl]-1,3-thiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{4-[(butylcarbamoyl)methyl]-13-thiazol-2-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

CCCCNC(Cc1csc(NC(c(cc2)cc3c2OCO3)=O)n1)=O

InChI

InChI=1S/C17H19N3O4S/c1-2-3-6-18-15(21)8-12-9-25-17(19-12)20-16(22)11-4-5-13-14(7-11)24-10-23-13/h4-5,7,9H,2-3,6,8,10H2,1H3,(H,18,21)(H,19,20,22)

InChI Key

YLZVSTIVSWWKQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08535446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.978

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-3.42

Polar Surface Area

75.300

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

F186-0796 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F186-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F186-0796?
Check Price and Availability of F186-0796, 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 F186-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F186-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F186-0796
  • 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 F186-0796 available by request