T854-0037 Screening compound: (4aR,8aR)-4a-(1-azepanylcarbonyl)-1-methyloctahydro-2(1H)-quinolinone

T854-0037 Screening compound: (4aR,8aR)-4a-(1-azepanylcarbonyl)-1-methyloctahydro-2(1H)-quinolinone
T854-0037 Screening compound: (4aR,8aR)-4a-(1-azepanylcarbonyl)-1-methyloctahydro-2(1H)-quinolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound T854-0037
(4aR,8aR)-4a-(1-azepanylcarbonyl)-1-methyloctahydro-2(1H)-quinolinone

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

T854-0037

Molecular Formula

C17H28N2O2 (C17 H28 N2 O2)

Compound Name

(4aR,8aR)-4a-(1-azepanylcarbonyl)-1-methyloctahydro-2(1H)-quinolinone

IUPAC name

(4aR8aR)-4a-(azepane-1-carbonyl)-1-methyl-decahydroquinolin-2-one

SMILES

CN([C@@H](CCCC1)[C@]1(CC1)C(N2CCCCCC2)=O)C1=O

InChI

InChI=1S/C17H28N2O2/c1-18-14-8-4-5-10-17(14,11-9-15(18)20)16(21)19-12-6-2-3-7-13-19/h14H,2-13H2,1H3/t14-,17-/m0/s1

InChI Key

SNXPHFKMFZFKTE-YOEHRIQHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.921

Distribution Coefficient, logD

1.921

Water Solubility, LogSw

-1.89

Polar Surface Area

33.181

Acid Dissociation Constant (pKa)

22.22

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

88.24

T854-0037 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T854-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T854-0037?
Check Price and Availability of T854-0037, 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 T854-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T854-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T854-0037
  • 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 T854-0037 available by request