C848-0221 Screening compound: 8-[2-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C848-0221 Screening compound: 8-[2-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
C848-0221 Screening compound: 8-[2-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound C848-0221
8-[2-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]-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

C848-0221

Molecular Formula

C19H24N2O6S3 (C19 H24 N2 O6 S3)

Compound Name

8-[2-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[2-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-13-thiazol-5-yl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

CCS(c1nc(S(c2ccc(C)cc2)(=O)=O)c(N(CC2)CCC22OCCO2)s1)(=O)=O

InChI

InChI=1S/C19H24N2O6S3/c1-3-29(22,23)18-20-16(30(24,25)15-6-4-14(2)5-7-15)17(28-18)21-10-8-19(9-11-21)26-12-13-27-19/h4-7H,3,8-13H2,1-2H3

InChI Key

OCVOJCGCFDYVEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06401910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.912

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.30

Polar Surface Area

87.041

Acid Dissociation Constant (pKa)

21.54

Base Dissociation Constant (pKb)

-6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

C848-0221 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C848-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C848-0221?
Check Price and Availability of C848-0221, 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 C848-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C848-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C848-0221
  • 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 C848-0221 available by request