8016-0146 Screening compound: 11-[4-(cyclohexylamino)-6-ethoxy-1,3,5-triazin-2-yl]-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

8016-0146 Screening compound: 11-[4-(cyclohexylamino)-6-ethoxy-1,3,5-triazin-2-yl]-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
8016-0146 Screening compound: 11-[4-(cyclohexylamino)-6-ethoxy-1,3,5-triazin-2-yl]-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0146
11-[4-(cyclohexylamino)-6-ethoxy-1,3,5-triazin-2-yl]-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

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

8016-0146

Molecular Formula

C22H30N6O2 (C22 H30 N6 O2)

Compound Name

11-[4-(cyclohexylamino)-6-ethoxy-1,3,5-triazin-2-yl]-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

IUPAC name

11-[4-(cyclohexylamino)-6-ethoxy-135-triazin-2-yl]-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-6-one

SMILES

CCOc1nc(NC2CCCCC2)nc(N(CC(C2)CN34)CC2C4=CC=CC3=O)n1

InChI

InChI=1S/C22H30N6O2/c1-2-30-22-25-20(23-17-7-4-3-5-8-17)24-21(26-22)27-12-15-11-16(14-27)18-9-6-10-19(29)28(18)13-15/h6,9-10,15-17H,2-5,7-8,11-14H2,1H3,(H,23,24,25,26)

InChI Key

KKEQMLSJOXAGMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.129

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-4.85

Polar Surface Area

66.202

Acid Dissociation Constant (pKa)

16.33

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.64

8016-0146 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0146?
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What is the minimum amount of 8016-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0146
  • 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 8016-0146 available by request