T854-0141 Screening compound: (8aR)-1-isopentyl-2-oxooctahydro-4a(2H)-quinolinecarboxamide

T854-0141 Screening compound: (8aR)-1-isopentyl-2-oxooctahydro-4a(2H)-quinolinecarboxamide
T854-0141 Screening compound: (8aR)-1-isopentyl-2-oxooctahydro-4a(2H)-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T854-0141
(8aR)-1-isopentyl-2-oxooctahydro-4a(2H)-quinolinecarboxamide

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

T854-0141

Molecular Formula

C15H26N2O2 (C15 H26 N2 O2)

Compound Name

(8aR)-1-isopentyl-2-oxooctahydro-4a(2H)-quinolinecarboxamide

IUPAC name

(4aR8aR)-1-(3-methylbutyl)-2-oxo-decahydroquinoline-4a-carboxamide

SMILES

CC(C)CCN([C@@H](CCCC1)[C@]1(CC1)C(N)=O)C1=O

InChI

InChI=1S/C15H26N2O2/c1-11(2)7-10-17-12-5-3-4-8-15(12,14(16)19)9-6-13(17)18/h11-12H,3-10H2,1-2H3,(H2,16,19)/t12-,15-/m0/s1

InChI Key

HWIDDUXJIANQOV-WFASDCNBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.844

Distribution Coefficient, logD

1.844

Water Solubility, LogSw

-1.78

Polar Surface Area

50.473

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

86.67

T854-0141 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T854-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T854-0141?
Check Price and Availability of T854-0141, 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 T854-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T854-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T854-0141
  • 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 T854-0141 available by request