C858-1568 Screening compound: N-(2-ethyl-6-methylphenyl)-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide

C858-1568 Screening compound: N-(2-ethyl-6-methylphenyl)-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide
C858-1568 Screening compound: N-(2-ethyl-6-methylphenyl)-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-1568
N-(2-ethyl-6-methylphenyl)-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide

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

C858-1568

Molecular Formula

C21H23N3O2S (C21 H23 N3 O2 S)

Compound Name

N-(2-ethyl-6-methylphenyl)-2-(morpholin-4-yl)-1,3-benzothiazole-6-carboxamide

IUPAC name

N-(2-ethyl-6-methylphenyl)-2-(morpholin-4-yl)-13-benzothiazole-6-carboxamide

SMILES

CCc(cccc1C)c1NC(c(cc1)cc2c1nc(N1CCOCC1)s2)=O

InChI

InChI=1S/C21H23N3O2S/c1-3-15-6-4-5-14(2)19(15)23-20(25)16-7-8-17-18(13-16)27-21(22-17)24-9-11-26-12-10-24/h4-8,13H,3,9-12H2,1-2H3,(H,23,25)

InChI Key

RXOMUJKLXVSSJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.152

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.06

Polar Surface Area

42.830

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C858-1568 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Proteases Annotated Library (2868 compounds)

PI3K-Targeted Library (17255 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C858-1568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-1568?
Check Price and Availability of C858-1568, 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 C858-1568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-1568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-1568
  • 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 C858-1568 available by request