7512-0002 Screening compound: (5E)-5-(hydroxyimino)-7-[(piperidin-1-yl)methyl]-5,8-dihydroquinolin-8-one

7512-0002 Screening compound: (5E)-5-(hydroxyimino)-7-[(piperidin-1-yl)methyl]-5,8-dihydroquinolin-8-one
7512-0002 Screening compound: (5E)-5-(hydroxyimino)-7-[(piperidin-1-yl)methyl]-5,8-dihydroquinolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7512-0002
(5E)-5-(hydroxyimino)-7-[(piperidin-1-yl)methyl]-5,8-dihydroquinolin-8-one

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

7512-0002

Molecular Formula

C15H17N3O2 (C15 H17 N3 O2)

Compound Name

(5E)-5-(hydroxyimino)-7-[(piperidin-1-yl)methyl]-5,8-dihydroquinolin-8-one

IUPAC name

(5E)-5-(hydroxyimino)-7-[(piperidin-1-yl)methyl]-58-dihydroquinolin-8-one

SMILES

O/N=C(\C=C1CN2CCCCC2)/c2cccnc2C1=O

InChI

InChI=1S/C15H17N3O2/c19-15-11(10-18-7-2-1-3-8-18)9-13(17-20)12-5-4-6-16-14(12)15/h4-6,9,20H,1-3,7-8,10H2

InChI Key

KRLSYYVBUPYLOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06610149

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

271.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.236

Distribution Coefficient, logD

0.537

Water Solubility, LogSw

-2.37

Polar Surface Area

56.154

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

7512-0002 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7512-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7512-0002?
Check Price and Availability of 7512-0002, 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 7512-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7512-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7512-0002
  • 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 7512-0002 available by request