C858-1144 Screening compound: 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole

C858-1144 Screening compound: 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole
C858-1144 Screening compound: 6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-1144
6-[4-(5-chloro-2-methylphenyl)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

C858-1144

Molecular Formula

C25H29ClN4OS (C25 H29 ClN4 OS)

Compound Name

6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole

IUPAC name

6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-(4-methylpiperidin-1-yl)-13-benzothiazole

SMILES

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

InChI

InChI=1S/C25H29ClN4OS/c1-17-7-9-30(10-8-17)25-27-21-6-4-19(15-23(21)32-25)24(31)29-13-11-28(12-14-29)22-16-20(26)5-3-18(22)2/h3-6,15-17H,7-14H2,1-2H3

InChI Key

GNKXWBHJFBGKHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.05

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

6.024

Distribution Coefficient, logD

6.023

Water Solubility, LogSw

-6.21

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

44.00

C858-1144 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS targets activity set (6557 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

References: we are preparing a list of scientific research reports with C858-1144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-1144?
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What is the minimum amount of C858-1144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-1144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-1144
  • 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 C858-1144 available by request