C858-1731 Screening compound: 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(morpholin-4-yl)-1,3-benzothiazole

C858-1731 Screening compound: 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(morpholin-4-yl)-1,3-benzothiazole
C858-1731 Screening compound: 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(morpholin-4-yl)-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-1731
6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(morpholin-4-yl)-1,3-benzothiazole

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

C858-1731

Molecular Formula

C24H28N4O2S (C24 H28 N4 O2 S)

Compound Name

6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(morpholin-4-yl)-1,3-benzothiazole

IUPAC name

6-[4-(25-dimethylphenyl)piperazine-1-carbonyl]-2-(morpholin-4-yl)-13-benzothiazole

SMILES

Cc1cc(N(CC2)CCN2C(c(cc2)cc3c2nc(N2CCOCC2)s3)=O)c(C)cc1

InChI

InChI=1S/C24H28N4O2S/c1-17-3-4-18(2)21(15-17)26-7-9-27(10-8-26)23(29)19-5-6-20-22(16-19)31-24(25-20)28-11-13-30-14-12-28/h3-6,15-16H,7-14H2,1-2H3

InChI Key

GKCKLDWBEGANKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.411

Distribution Coefficient, logD

4.411

Water Solubility, LogSw

-4.30

Polar Surface Area

40.742

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

C858-1731 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

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

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 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:
  • Cancer
  • 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 C858-1731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-1731?
Check Price and Availability of C858-1731, 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 C858-1731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-1731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-1731
  • 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 C858-1731 available by request