J103-0011 Screening compound: 1-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetyl]piperidine-4-carboxylic acid

J103-0011 Screening compound: 1-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetyl]piperidine-4-carboxylic acid
J103-0011 Screening compound: 1-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetyl]piperidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J103-0011
1-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetyl]piperidine-4-carboxylic acid

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

J103-0011

Molecular Formula

C16H21N3O4 (C16 H21 N3 O4)

Compound Name

1-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetyl]piperidine-4-carboxylic acid

IUPAC name

1-[2-(3-oxo-235678-hexahydrocinnolin-2-yl)acetyl]piperidine-4-carboxylic acid

SMILES

OC(C(CC1)CCN1C(CN1N=C(CCCC2)C2=CC1=O)=O)=O

InChI

InChI=1S/C16H21N3O4/c20-14-9-12-3-1-2-4-13(12)17-19(14)10-15(21)18-7-5-11(6-8-18)16(22)23/h9,11H,1-8,10H2,(H,22,23)

InChI Key

KFPFQWXWHCLOOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18065438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.427

Distribution Coefficient, logD

-2.980

Water Solubility, LogSw

-0.33

Polar Surface Area

73.034

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

J103-0011 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J103-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J103-0011?
Check Price and Availability of J103-0011, 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 J103-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J103-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J103-0011
  • 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 J103-0011 available by request