J103-0003 Screening compound: 4-methyl-2-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamido]pentanoic acid

J103-0003 Screening compound: 4-methyl-2-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamido]pentanoic acid
J103-0003 Screening compound: 4-methyl-2-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamido]pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J103-0003
4-methyl-2-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamido]pentanoic 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

J103-0003

Molecular Formula

C16H23N3O4 (C16 H23 N3 O4)

Compound Name

4-methyl-2-[2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamido]pentanoic acid

IUPAC name

(2S)-4-methyl-2-[2-(3-oxo-235678-hexahydrocinnolin-2-yl)acetamido]pentanoic acid

SMILES

CC(C)C[C@@H](C(O)=O)NC(CN1N=C(CCCC2)C2=CC1=O)=O

InChI

InChI=1S/C16H23N3O4/c1-10(2)7-13(16(22)23)17-14(20)9-19-15(21)8-11-5-3-4-6-12(11)18-19/h8,10,13H,3-7,9H2,1-2H3,(H,17,20)(H,22,23)/t13-/m0/s1

InChI Key

MVCOXKYLMOQRCV-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.152

Distribution Coefficient, logD

-3.508

Water Solubility, LogSw

-1.04

Polar Surface Area

81.014

Acid Dissociation Constant (pKa)

3.74

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

J103-0003 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CORONAVIRUS Library (20774 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:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J103-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J103-0003?
Check Price and Availability of J103-0003, 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 J103-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J103-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J103-0003
  • 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 J103-0003 available by request