8018-7113 Screening compound: 1-methyloctahydro-4(1H)-quinolinone oxime

8018-7113 Screening compound: 1-methyloctahydro-4(1H)-quinolinone oxime
8018-7113 Screening compound: 1-methyloctahydro-4(1H)-quinolinone oxime alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7113
1-methyloctahydro-4(1H)-quinolinone oxime

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

8018-7113

Molecular Formula

C10H18N2O (C10 H18 N2 O)

Compound Name

1-methyloctahydro-4(1H)-quinolinone oxime

IUPAC name

N-[(4E)-1-methyl-decahydroquinolin-4-ylidene]hydroxylamine

SMILES

CN(CC1)C(CCCC2)C2/C1=N/O

InChI

InChI=1S/C10H18N2O/c1-12-7-6-9(11-13)8-4-2-3-5-10(8)12/h8,10,13H,2-7H2,1H3

InChI Key

VLFXIXTWZUYHAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

182.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.908

Distribution Coefficient, logD

0.534

Water Solubility, LogSw

-1.37

Polar Surface Area

32.540

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

90.00

8018-7113 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 8018-7113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7113?
Check Price and Availability of 8018-7113, 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 8018-7113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7113
  • 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 8018-7113 available by request