C858-1142 Screening compound: 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole

C858-1142 Screening compound: 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole
C858-1142 Screening compound: 6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-1142
6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylpiperidin-1-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

C858-1142

Molecular Formula

C26H32N4OS (C26 H32 N4 OS)

Compound Name

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

IUPAC name

6-[4-(23-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylpiperidin-1-yl)-13-benzothiazole

SMILES

CC(CC1)CCN1c1nc(ccc(C(N(CC2)CCN2c2c(C)c(C)ccc2)=O)c2)c2s1

InChI

InChI=1S/C26H32N4OS/c1-18-9-11-30(12-10-18)26-27-22-8-7-21(17-24(22)32-26)25(31)29-15-13-28(14-16-29)23-6-4-5-19(2)20(23)3/h4-8,17-18H,9-16H2,1-3H3

InChI Key

ARGFJWXGFXCPPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.865

Distribution Coefficient, logD

5.864

Water Solubility, LogSw

-5.49

Polar Surface Area

32.834

Acid Dissociation Constant (pKa)

22.81

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C858-1142 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C858-1142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-1142?
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What is the minimum amount of C858-1142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-1142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-1142
  • 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 C858-1142 available by request