8640-0544 Screening compound: 6-(CYCLOHEXYLAMINO)-3,3-DIMETHYL-8-(2-METHYLPROPYL)-1H,3H,4H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE

8640-0544 Screening compound: 6-(CYCLOHEXYLAMINO)-3,3-DIMETHYL-8-(2-METHYLPROPYL)-1H,3H,4H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE
8640-0544 Screening compound: 6-(CYCLOHEXYLAMINO)-3,3-DIMETHYL-8-(2-METHYLPROPYL)-1H,3H,4H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0544
6-(CYCLOHEXYLAMINO)-3,3-DIMETHYL-8-(2-METHYLPROPYL)-1H,3H,4H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE

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

8640-0544

Molecular Formula

C21H31N3O (C21 H31 N3 O)

Compound Name

6-(CYCLOHEXYLAMINO)-3,3-DIMETHYL-8-(2-METHYLPROPYL)-1H,3H,4H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE

IUPAC name

n/a

SMILES

CC(C)Cc(c1c2CC(C)(C)OC1)nc(NC1CCCCC1)c2C#N

InChI

InChI=1S/C21H31N3O/c1-14(2)10-19-18-13-25-21(3,4)11-16(18)17(12-22)20(24-19)23-15-8-6-5-7-9-15/h14-15H,5-11,13H2,1-4H3,(H,23,24)

InChI Key

OJZQVIQVFHFYHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01551622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.496

Distribution Coefficient, logD

5.496

Water Solubility, LogSw

-5.46

Polar Surface Area

45.393

Acid Dissociation Constant (pKa)

18.08

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

8640-0544 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Nucleic Acid Ligands (8311 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8640-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0544?
Check Price and Availability of 8640-0544, 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 8640-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0544
  • 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 8640-0544 available by request