T853-0126 Screening compound: 1-ethyl-2-oxo-N-propyl-1,2,3,4,4a,5,6,7-octahydroquinoline-4a-carboxamide

T853-0126 Screening compound: 1-ethyl-2-oxo-N-propyl-1,2,3,4,4a,5,6,7-octahydroquinoline-4a-carboxamide
T853-0126 Screening compound: 1-ethyl-2-oxo-N-propyl-1,2,3,4,4a,5,6,7-octahydroquinoline-4a-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T853-0126
1-ethyl-2-oxo-N-propyl-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

T853-0126

Molecular Formula

C15H24N2O2 (C15 H24 N2 O2)

Compound Name

1-ethyl-2-oxo-N-propyl-1,2,3,4,4a,5,6,7-octahydroquinoline-4a-carboxamide

IUPAC name

1-ethyl-2-oxo-N-propyl-12344a567-octahydroquinoline-4a-carboxamide

SMILES

CCCNC(C1(CCC(N2CC)=O)C2=CCCC1)=O

InChI

InChI=1S/C15H24N2O2/c1-3-11-16-14(19)15-9-6-5-7-12(15)17(4-2)13(18)8-10-15/h7H,3-6,8-11H2,1-2H3,(H,16,19)/t15-/m1/s1

InChI Key

AENIXMOXMDDVTP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD30463454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.240

Distribution Coefficient, logD

2.240

Water Solubility, LogSw

-2.32

Polar Surface Area

40.152

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.33

T853-0126 in Drug Discovery

Included in Screening Libraries

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

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T853-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T853-0126?
Check Price and Availability of T853-0126, 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 T853-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T853-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T853-0126
  • 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 T853-0126 available by request