6882-0117 Screening compound: 3-cycloheptyl-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole

6882-0117 Screening compound: 3-cycloheptyl-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole
6882-0117 Screening compound: 3-cycloheptyl-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6882-0117
3-cycloheptyl-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

6882-0117

Molecular Formula

C16H22N4 (C16 H22 N4)

Compound Name

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

IUPAC name

12-cycloheptyl-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene

SMILES

C(Nc1nc(cccc2)c2n1C1)N1C1CCCCCC1

InChI

InChI=1S/C16H22N4/c1-2-4-8-13(7-3-1)19-11-17-16-18-14-9-5-6-10-15(14)20(16)12-19/h5-6,9-10,13H,1-4,7-8,11-12H2,(H,17,18)

InChI Key

CCGBGAAISAHTSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04179299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.100

Distribution Coefficient, logD

1.862

Water Solubility, LogSw

-4.31

Polar Surface Area

27.315

Acid Dissociation Constant (pKa)

19.65

Base Dissociation Constant (pKb)

9.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

6882-0117 in Drug Discovery

Included in Screening Libraries

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

Anti-infective Library (19449 compounds)

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6882-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6882-0117?
Check Price and Availability of 6882-0117, 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 6882-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6882-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6882-0117
  • 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 6882-0117 available by request