C858-0925 Screening compound: N-cyclopentyl-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide

C858-0925 Screening compound: N-cyclopentyl-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
C858-0925 Screening compound: N-cyclopentyl-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-0925
N-cyclopentyl-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

C858-0925

Molecular Formula

C19H25N3OS (C19 H25 N3 OS)

Compound Name

N-cyclopentyl-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide

IUPAC name

N-cyclopentyl-2-(4-methylpiperidin-1-yl)-13-benzothiazole-6-carboxamide

SMILES

CC(CC1)CCN1c1nc(ccc(C(NC2CCCC2)=O)c2)c2s1

InChI

InChI=1S/C19H25N3OS/c1-13-8-10-22(11-9-13)19-21-16-7-6-14(12-17(16)24-19)18(23)20-15-4-2-3-5-15/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,20,23)

InChI Key

MHQJBAYEMJJVDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.653

Distribution Coefficient, logD

4.652

Water Solubility, LogSw

-4.38

Polar Surface Area

37.731

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

C858-0925 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C858-0925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-0925?
Check Price and Availability of C858-0925, 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 C858-0925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-0925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-0925
  • 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 C858-0925 available by request