C127-0094 Screening compound: N-cyclopropyl-1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C127-0094 Screening compound: N-cyclopropyl-1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
C127-0094 Screening compound: N-cyclopropyl-1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C127-0094
N-cyclopropyl-1-(6-ethyl-1,3-benzothiazol-2-yl)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

C127-0094

Molecular Formula

C18H23N3OS (C18 H23 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)cc2c1nc(N(CC1)CCC1C(NC1CC1)=O)s2

InChI

InChI=1S/C18H23N3OS/c1-2-12-3-6-15-16(11-12)23-18(20-15)21-9-7-13(8-10-21)17(22)19-14-4-5-14/h3,6,11,13-14H,2,4-5,7-10H2,1H3,(H,19,22)

InChI Key

QTNBBXSWWFKDIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.811

Distribution Coefficient, logD

3.809

Water Solubility, LogSw

-3.74

Polar Surface Area

37.696

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

11.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

C127-0094 in Drug Discovery

Included in Screening Libraries

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

Anti-Inflammatory Library (24602 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • 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 C127-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C127-0094?
Check Price and Availability of C127-0094, 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 C127-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C127-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C127-0094
  • 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 C127-0094 available by request