C858-1166 Screening compound: 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole

C858-1166 Screening compound: 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole
C858-1166 Screening compound: 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-1166
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]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

C858-1166

Molecular Formula

C26H30N4O3S (C26 H30 N4 O3 S)

Compound Name

6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole

IUPAC name

6-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(4-methylpiperidin-1-yl)-13-benzothiazole

SMILES

CC(CC1)CCN1c1nc(ccc(C(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)c2)c2s1

InChI

InChI=1S/C26H30N4O3S/c1-18-6-8-30(9-7-18)26-27-21-4-3-20(15-24(21)34-26)25(31)29-12-10-28(11-13-29)16-19-2-5-22-23(14-19)33-17-32-22/h2-5,14-15,18H,6-13,16-17H2,1H3

InChI Key

DWEWVZQIDSYCKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.294

Distribution Coefficient, logD

4.102

Water Solubility, LogSw

-4.25

Polar Surface Area

50.530

Acid Dissociation Constant (pKa)

22.81

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C858-1166 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C858-1166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-1166?
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What is the minimum amount of C858-1166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-1166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-1166
  • 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 C858-1166 available by request