C127-0095 Screening compound: 1-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)piperidine-4-carboxamide

C127-0095 Screening compound: 1-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)piperidine-4-carboxamide
C127-0095 Screening compound: 1-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C127-0095
1-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)piperidine-4-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

C127-0095

Molecular Formula

C20H29N3OS (C20 H29 N3 OS)

Compound Name

1-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)piperidine-4-carboxamide

IUPAC name

1-(6-ethyl-13-benzothiazol-2-yl)-N-(3-methylbutyl)piperidine-4-carboxamide

SMILES

CCc(cc1)cc2c1nc(N(CC1)CCC1C(NCCC(C)C)=O)s2

InChI

InChI=1S/C20H29N3OS/c1-4-15-5-6-17-18(13-15)25-20(22-17)23-11-8-16(9-12-23)19(24)21-10-7-14(2)3/h5-6,13-14,16H,4,7-12H2,1-3H3,(H,21,24)

InChI Key

RPALAMKDFUPPPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.965

Distribution Coefficient, logD

4.963

Water Solubility, LogSw

-4.54

Polar Surface Area

37.753

Acid Dissociation Constant (pKa)

13.75

Base Dissociation Constant (pKb)

11.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C127-0095 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C127-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C127-0095?
Check Price and Availability of C127-0095, 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 C127-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C127-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C127-0095
  • 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 C127-0095 available by request