D360-7025 Screening compound: 2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-cyclohexylacetamide

D360-7025 Screening compound: 2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-cyclohexylacetamide
D360-7025 Screening compound: 2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D360-7025
2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-cyclohexylacetamide

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

D360-7025

Molecular Formula

C18H21N3O2S (C18 H21 N3 O2 S)

Compound Name

2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-cyclohexylacetamide

IUPAC name

2-[(3-cyano-5-oxo-5678-tetrahydroquinolin-2-yl)sulfanyl]-N-cyclohexylacetamide

SMILES

N#Cc1cc(C(CCC2)=O)c2nc1SCC(NC1CCCCC1)=O

InChI

InChI=1S/C18H21N3O2S/c19-10-12-9-14-15(7-4-8-16(14)22)21-18(12)24-11-17(23)20-13-5-2-1-3-6-13/h9,13H,1-8,11H2,(H,20,23)

InChI Key

BXYVPXYVSDQGLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14824598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

3.158

Water Solubility, LogSw

-3.55

Polar Surface Area

64.636

Acid Dissociation Constant (pKa)

15.71

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

D360-7025 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D360-7025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D360-7025?
Check Price and Availability of D360-7025, 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 D360-7025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D360-7025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D360-7025
  • 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 D360-7025 available by request