6395-0026 Screening compound: 1-[(2R,3S)-3-(4-methylphenyl)-1,4,5-triazatricyclo[5.2.2.0~2,6~]undec-5-en-4-yl]-1-propanone

6395-0026 Screening compound: 1-[(2R,3S)-3-(4-methylphenyl)-1,4,5-triazatricyclo[5.2.2.0~2,6~]undec-5-en-4-yl]-1-propanone
6395-0026 Screening compound: 1-[(2R,3S)-3-(4-methylphenyl)-1,4,5-triazatricyclo[5.2.2.0~2,6~]undec-5-en-4-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6395-0026
1-[(2R,3S)-3-(4-methylphenyl)-1,4,5-triazatricyclo[5.2.2.0~2,6~]undec-5-en-4-yl]-1-propanone

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

6395-0026

Molecular Formula

C18H23N3O (C18 H23 N3 O)

Compound Name

1-[(2R,3S)-3-(4-methylphenyl)-1,4,5-triazatricyclo[5.2.2.0~2,6~]undec-5-en-4-yl]-1-propanone

IUPAC name

1-[(2R3S)-3-(4-methylphenyl)-145-triazatricyclo[5.2.2.0^{26}]undec-5-en-4-yl]propan-1-one

SMILES

CCC(N1N=C2C(CC3)CCN3[C@H]2[C@H]1c1ccc(C)cc1)=O

InChI

InChI=1S/C18H23N3O/c1-3-15(22)21-17(14-6-4-12(2)5-7-14)18-16(19-21)13-8-10-20(18)11-9-13/h4-7,13,17-18H,3,8-11H2,1-2H3/t17-,18+/m1/s1

InChI Key

LHNZJZXYTLIGEY-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.190

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-2.88

Polar Surface Area

28.547

Acid Dissociation Constant (pKa)

19.92

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

6395-0026 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 6395-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6395-0026?
Check Price and Availability of 6395-0026, 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 6395-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6395-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6395-0026
  • 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 6395-0026 available by request