F186-0589 Screening compound: N-(4-{[(1,3-benzothiazol-2-yl)carbamoyl]methyl}-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide

F186-0589 Screening compound: N-(4-{[(1,3-benzothiazol-2-yl)carbamoyl]methyl}-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
F186-0589 Screening compound: N-(4-{[(1,3-benzothiazol-2-yl)carbamoyl]methyl}-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F186-0589
N-(4-{[(1,3-benzothiazol-2-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

F186-0589

Molecular Formula

C21H18N4O4S2 (C21 H18 N4 O4 S2)

Compound Name

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

IUPAC name

N-(4-{[(13-benzothiazol-2-yl)carbamoyl]methyl}-13-thiazol-2-yl)-34-dimethoxybenzamide

SMILES

COc(ccc(C(Nc1nc(CC(Nc2nc(cccc3)c3s2)=O)cs1)=O)c1)c1OC

InChI

InChI=1S/C21H18N4O4S2/c1-28-15-8-7-12(9-16(15)29-2)19(27)25-20-22-13(11-30-20)10-18(26)24-21-23-14-5-3-4-6-17(14)31-21/h3-9,11H,10H2,1-2H3,(H,22,25,27)(H,23,24,26)

InChI Key

OUMBEISMVJPESR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08535409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.134

Distribution Coefficient, logD

4.125

Water Solubility, LogSw

-4.38

Polar Surface Area

81.771

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F186-0589 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F186-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F186-0589?
Check Price and Availability of F186-0589, 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 F186-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F186-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F186-0589
  • 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 F186-0589 available by request