J103-0016 Screening compound: 2-{2-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamido]acetamido}acetic acid

J103-0016 Screening compound: 2-{2-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamido]acetamido}acetic acid
J103-0016 Screening compound: 2-{2-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamido]acetamido}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J103-0016
2-{2-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamido]acetamido}acetic 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

J103-0016

Molecular Formula

C14H18N4O5 (C14 H18 N4 O5)

Compound Name

2-{2-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamido]acetamido}acetic acid

IUPAC name

2-{2-[2-(3-oxo-235678-hexahydrocinnolin-2-yl)acetamido]acetamido}acetic acid

SMILES

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

InChI

InChI=1S/C14H18N4O5/c19-11(16-7-14(22)23)6-15-12(20)8-18-13(21)5-9-3-1-2-4-10(9)17-18/h5H,1-4,6-8H2,(H,15,20)(H,16,19)(H,22,23)

InChI Key

YXNMQTMGTDQXGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18065880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.32

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.124

Distribution Coefficient, logD

-5.052

Water Solubility, LogSw

-1.02

Polar Surface Area

105.831

Acid Dissociation Constant (pKa)

3.47

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

J103-0016 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J103-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J103-0016?
Check Price and Availability of J103-0016, 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 J103-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J103-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J103-0016
  • 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 J103-0016 available by request