T853-0184 Screening compound: 1-ethyl-2-oxo-N-[2-(pyridin-4-yl)ethyl]-1,2,3,4,4a,5,6,7-octahydroquinoline-4a-carboxamide

T853-0184 Screening compound: 1-ethyl-2-oxo-N-[2-(pyridin-4-yl)ethyl]-1,2,3,4,4a,5,6,7-octahydroquinoline-4a-carboxamide
T853-0184 Screening compound: 1-ethyl-2-oxo-N-[2-(pyridin-4-yl)ethyl]-1,2,3,4,4a,5,6,7-octahydroquinoline-4a-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T853-0184
1-ethyl-2-oxo-N-[2-(pyridin-4-yl)ethyl]-1,2,3,4,4a,5,6,7-octahydroquinoline-4a-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

T853-0184

Molecular Formula

C19H25N3O2 (C19 H25 N3 O2)

Compound Name

1-ethyl-2-oxo-N-[2-(pyridin-4-yl)ethyl]-1,2,3,4,4a,5,6,7-octahydroquinoline-4a-carboxamide

IUPAC name

1-ethyl-2-oxo-N-[2-(pyridin-4-yl)ethyl]-12344a567-octahydroquinoline-4a-carboxamide

SMILES

CCN(C(CC1)=O)C2=CCCCC12C(NCCc1ccncc1)=O

InChI

InChI=1S/C19H25N3O2/c1-2-22-16-5-3-4-10-19(16,11-6-17(22)23)18(24)21-14-9-15-7-12-20-13-8-15/h5,7-8,12-13H,2-4,6,9-11,14H2,1H3,(H,21,24)/t19-/m1/s1

InChI Key

QGYGYYXEFVLJDY-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31984740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.591

Distribution Coefficient, logD

1.546

Water Solubility, LogSw

-1.72

Polar Surface Area

49.309

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

T853-0184 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T853-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T853-0184?
Check Price and Availability of T853-0184, 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 T853-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T853-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T853-0184
  • 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 T853-0184 available by request