7695-0194 Screening compound: 1-benzyl-3-phenethyl-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole

7695-0194 Screening compound: 1-benzyl-3-phenethyl-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole
7695-0194 Screening compound: 1-benzyl-3-phenethyl-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7695-0194
1-benzyl-3-phenethyl-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole

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

7695-0194

Molecular Formula

C24H24N4 (C24 H24 N4)

Compound Name

1-benzyl-3-phenethyl-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole

IUPAC name

10-benzyl-12-(2-phenylethyl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene

SMILES

C(CN1CN(Cc2ccccc2)c2nc(cccc3)c3n2C1)c1ccccc1

InChI

InChI=1S/C24H24N4/c1-3-9-20(10-4-1)15-16-26-18-27(17-21-11-5-2-6-12-21)24-25-22-13-7-8-14-23(22)28(24)19-26/h1-14H,15-19H2

InChI Key

LLSUIZMLEVXALV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06192757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.567

Distribution Coefficient, logD

5.456

Water Solubility, LogSw

-5.92

Polar Surface Area

17.727

Acid Dissociation Constant (pKa)

22.15

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

7695-0194 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7695-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7695-0194?
Check Price and Availability of 7695-0194, 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 7695-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7695-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7695-0194
  • 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 7695-0194 available by request