C246-0225 Screening compound: 8-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane

C246-0225 Screening compound: 8-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane
C246-0225 Screening compound: 8-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound C246-0225
8-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

C246-0225

Molecular Formula

C18H19BrN4O2S (C18 H19 BrN4 O2 S)

Compound Name

8-{[3-(3-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-6-yl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{[3-(3-bromophenyl)-[124]triazolo[34-b][13]thiazol-6-yl]methyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

Brc1cc(-c2nnc3sc(CN(CC4)CCC44OCCO4)cn23)ccc1

InChI

InChI=1S/C18H19BrN4O2S/c19-14-3-1-2-13(10-14)16-20-21-17-23(16)12-15(26-17)11-22-6-4-18(5-7-22)24-8-9-25-18/h1-3,10,12H,4-9,11H2

InChI Key

XALBMQVNOHJKGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.190

Distribution Coefficient, logD

1.991

Water Solubility, LogSw

-3.06

Polar Surface Area

40.864

Acid Dissociation Constant (pKa)

27.17

Base Dissociation Constant (pKb)

8.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C246-0225 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C246-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C246-0225?
Check Price and Availability of C246-0225, 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 C246-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C246-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C246-0225
  • 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 C246-0225 available by request