C858-1041 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide

C858-1041 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
C858-1041 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-1041
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-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

C858-1041

Molecular Formula

C26H33N3O3S (C26 H33 N3 O3 S)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)-13-benzothiazole-6-carboxamide

SMILES

CCOc(ccc(CCNC(c(cc1)cc2c1nc(N1CCC(C)CC1)s2)=O)c1)c1OCC

InChI

InChI=1S/C26H33N3O3S/c1-4-31-22-9-6-19(16-23(22)32-5-2)10-13-27-25(30)20-7-8-21-24(17-20)33-26(28-21)29-14-11-18(3)12-15-29/h6-9,16-18H,4-5,10-15H2,1-3H3,(H,27,30)

InChI Key

VFLCETYVMDBLJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.717

Distribution Coefficient, logD

4.716

Water Solubility, LogSw

-4.47

Polar Surface Area

51.902

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C858-1041 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C858-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-1041?
Check Price and Availability of C858-1041, 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 C858-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-1041
  • 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 C858-1041 available by request