J109-0172 Screening compound: N-[(7S)-28-DIOXO-39-DIAZATRICYCLO[8.4.0.0{37}]TETRADECA-1(14)1012-TRIEN-13-YL]-1-METHYL-1H-INDOLE-3-CARBOXAMIDE

J109-0172 Screening compound: N-[(7S)-28-DIOXO-39-DIAZATRICYCLO[8.4.0.0{37}]TETRADECA-1(14)1012-TRIEN-13-YL]-1-METHYL-1H-INDOLE-3-CARBOXAMIDE
J109-0172 Screening compound: N-[(7S)-28-DIOXO-39-DIAZATRICYCLO[8.4.0.0{37}]TETRADECA-1(14)1012-TRIEN-13-YL]-1-METHYL-1H-INDOLE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound J109-0172
N-[(7S)-28-DIOXO-39-DIAZATRICYCLO[8.4.0.0{37}]TETRADECA-1(14)1012-TRIEN-13-YL]-1-METHYL-1H-INDOLE-3-CARBOXAMIDE

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

J109-0172

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

N-[(7S)-28-DIOXO-39-DIAZATRICYCLO[8.4.0.0{37}]TETRADECA-1(14)1012-TRIEN-13-YL]-1-METHYL-1H-INDOLE-3-CARBOXAMIDE

IUPAC name

N-[(7S)-28-dioxo-39-diazatricyclo[8.4.0.0^{37}]tetradeca-1(14)1012-trien-13-yl]-1-methyl-1H-indole-3-carboxamide

SMILES

Cn1c(cccc2)c2c(C(Nc(cc2)cc(C(N3[C@H]4CCC3)=O)c2NC4=O)=O)c1

InChI

InChI=1S/C22H20N4O3/c1-25-12-16(14-5-2-3-6-18(14)25)20(27)23-13-8-9-17-15(11-13)22(29)26-10-4-7-19(26)21(28)24-17/h2-3,5-6,8-9,11-12,19H,4,7,10H2,1H3,(H,23,27)(H,24,28)/t19-/m0/s1

InChI Key

YDYMIVDPQPTXQM-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.221

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-3.05

Polar Surface Area

67.699

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

J109-0172 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with J109-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J109-0172?
Check Price and Availability of J109-0172, 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 J109-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J109-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J109-0172
  • 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 J109-0172 available by request