6882-0127 Screening compound: 3-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole

6882-0127 Screening compound: 3-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole
6882-0127 Screening compound: 3-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6882-0127
3-(2,3-dimethylcyclohexyl)-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

6882-0127

Molecular Formula

C17H24N4 (C17 H24 N4)

Compound Name

3-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a][1,3]benzimidazole

IUPAC name

12-(23-dimethylcyclohexyl)-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-2(7)358-tetraene

SMILES

CC(CCC1)C(C)C1N(CN1)Cn2c1nc1c2cccc1

InChI

InChI=1S/C17H24N4/c1-12-6-5-9-15(13(12)2)20-10-18-17-19-14-7-3-4-8-16(14)21(17)11-20/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3,(H,18,19)

InChI Key

KHXBHMXDHPEFQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04165174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.4

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

3.458

Distribution Coefficient, logD

1.042

Water Solubility, LogSw

-3.72

Polar Surface Area

26.450

Acid Dissociation Constant (pKa)

19.65

Base Dissociation Constant (pKb)

9.81

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

58.80

6882-0127 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6882-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6882-0127?
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What is the minimum amount of 6882-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6882-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6882-0127
  • 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 6882-0127 available by request