C848-0419 Screening compound: 2,6-dimethyl-4-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-yl]morpholine

C848-0419 Screening compound: 2,6-dimethyl-4-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-yl]morpholine
C848-0419 Screening compound: 2,6-dimethyl-4-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-yl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound C848-0419
2,6-dimethyl-4-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-yl]morpholine

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

C848-0419

Molecular Formula

C19H26N2O5S3 (C19 H26 N2 O5 S3)

Compound Name

2,6-dimethyl-4-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-1,3-thiazol-5-yl]morpholine

IUPAC name

26-dimethyl-4-[4-(4-methylbenzenesulfonyl)-2-(propane-1-sulfonyl)-13-thiazol-5-yl]morpholine

SMILES

CCCS(c1nc(S(c2ccc(C)cc2)(=O)=O)c(N2CC(C)OC(C)C2)s1)(=O)=O

InChI

InChI=1S/C19H26N2O5S3/c1-5-10-28(22,23)19-20-17(29(24,25)16-8-6-13(2)7-9-16)18(27-19)21-11-14(3)26-15(4)12-21/h6-9,14-15H,5,10-12H2,1-4H3

InChI Key

NHHDYCJDOOZVBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.575

Distribution Coefficient, logD

3.575

Water Solubility, LogSw

-3.65

Polar Surface Area

79.537

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

-7.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.60

C848-0419 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C848-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C848-0419?
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What is the minimum amount of C848-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C848-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C848-0419
  • 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 C848-0419 available by request