8640-0552 Screening compound: 8-benzyl-6-(cyclohexylamino)-3,3-dimethyl-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

8640-0552 Screening compound: 8-benzyl-6-(cyclohexylamino)-3,3-dimethyl-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile
8640-0552 Screening compound: 8-benzyl-6-(cyclohexylamino)-3,3-dimethyl-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0552
8-benzyl-6-(cyclohexylamino)-3,3-dimethyl-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

8640-0552

Molecular Formula

C24H29N3O (C24 H29 N3 O)

Compound Name

8-benzyl-6-(cyclohexylamino)-3,3-dimethyl-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

IUPAC name

8-benzyl-6-(cyclohexylamino)-33-dimethyl-1H3H4H-pyrano[34-c]pyridine-5-carbonitrile

SMILES

CC(C)(C1)OCc2c1c(C#N)c(NC1CCCCC1)nc2Cc1ccccc1

InChI

InChI=1S/C24H29N3O/c1-24(2)14-19-20(15-25)23(26-18-11-7-4-8-12-18)27-22(21(19)16-28-24)13-17-9-5-3-6-10-17/h3,5-6,9-10,18H,4,7-8,11-14,16H2,1-2H3,(H,26,27)

InChI Key

BYQIYAASSQOWRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01551216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.51

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

5.583

Distribution Coefficient, logD

5.583

Water Solubility, LogSw

-5.55

Polar Surface Area

45.122

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8640-0552 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8640-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0552?
Check Price and Availability of 8640-0552, 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 8640-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0552
  • 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 8640-0552 available by request