F186-0630 Screening compound: N-[4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

F186-0630 Screening compound: N-[4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
F186-0630 Screening compound: N-[4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F186-0630
N-[4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1,3-thiazol-2-yl]-3,5-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

F186-0630

Molecular Formula

C21H25N3O6S (C21 H25 N3 O6 S)

Compound Name

N-[4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

IUPAC name

N-[4-(2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-13-thiazol-2-yl]-35-dimethoxybenzamide

SMILES

COc1cc(C(Nc2nc(CC(N(CC3)CCC33OCCO3)=O)cs2)=O)cc(OC)c1

InChI

InChI=1S/C21H25N3O6S/c1-27-16-9-14(10-17(12-16)28-2)19(26)23-20-22-15(13-31-20)11-18(25)24-5-3-21(4-6-24)29-7-8-30-21/h9-10,12-13H,3-8,11H2,1-2H3,(H,22,23,26)

InChI Key

ZTTZRAHWYJXRFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14083385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.376

Distribution Coefficient, logD

2.372

Water Solubility, LogSw

-2.97

Polar Surface Area

79.517

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

F186-0630 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F186-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F186-0630?
Check Price and Availability of F186-0630, 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 F186-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F186-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F186-0630
  • 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 F186-0630 available by request