J103-0330 Screening compound: 2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)-N-{2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}acetamide

J103-0330 Screening compound: 2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)-N-{2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}acetamide
J103-0330 Screening compound: 2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)-N-{2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J103-0330
2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)-N-{2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}acetamide

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

J103-0330

Molecular Formula

C20H20F3N5O2 (C20 H20 F3 N5 O2)

Compound Name

2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)-N-{2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]ethyl}acetamide

IUPAC name

2-(3-oxo-235678-hexahydrocinnolin-2-yl)-N-{2-[2-(trifluoromethyl)-1H-13-benzodiazol-1-yl]ethyl}acetamide

SMILES

O=C(CN1N=C(CCCC2)C2=CC1=O)NCCn1c(cccc2)c2nc1C(F)(F)F

InChI

InChI=1S/C20H20F3N5O2/c21-20(22,23)19-25-15-7-3-4-8-16(15)27(19)10-9-24-17(29)12-28-18(30)11-13-5-1-2-6-14(13)26-28/h3-4,7-8,11H,1-2,5-6,9-10,12H2,(H,24,29)

InChI Key

KYGHWZURGRWECB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27962966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.490

Distribution Coefficient, logD

2.490

Water Solubility, LogSw

-2.76

Polar Surface Area

62.724

Acid Dissociation Constant (pKa)

14.95

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

J103-0330 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J103-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J103-0330?
Check Price and Availability of J103-0330, 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 J103-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J103-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J103-0330
  • 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 J103-0330 available by request