C727-0154 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1,2,3,4-tetrahydroquinolin-1-yl)-1,3-benzothiazole-4-carboxamide

C727-0154 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1,2,3,4-tetrahydroquinolin-1-yl)-1,3-benzothiazole-4-carboxamide
C727-0154 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1,2,3,4-tetrahydroquinolin-1-yl)-1,3-benzothiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C727-0154
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1,2,3,4-tetrahydroquinolin-1-yl)-1,3-benzothiazole-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

C727-0154

Molecular Formula

C25H27N3OS (C25 H27 N3 OS)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1,2,3,4-tetrahydroquinolin-1-yl)-1,3-benzothiazole-4-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1234-tetrahydroquinolin-1-yl)-13-benzothiazole-4-carboxamide

SMILES

O=C(c1cccc2c1nc(N(CCC1)c3c1cccc3)s2)NCCC1=CCCCC1

InChI

InChI=1S/C25H27N3OS/c29-24(26-16-15-18-8-2-1-3-9-18)20-12-6-14-22-23(20)27-25(30-22)28-17-7-11-19-10-4-5-13-21(19)28/h4-6,8,10,12-14H,1-3,7,9,11,15-17H2,(H,26,29)

InChI Key

VPNBHDPQHBSXAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.107

Distribution Coefficient, logD

6.104

Water Solubility, LogSw

-5.86

Polar Surface Area

37.108

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C727-0154 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C727-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C727-0154?
Check Price and Availability of C727-0154, 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 C727-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C727-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C727-0154
  • 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 C727-0154 available by request