3683-0480 Screening compound: 3,3-dimethyl-6-[(3-methylbutyl)sulfanyl]-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

3683-0480 Screening compound: 3,3-dimethyl-6-[(3-methylbutyl)sulfanyl]-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile
3683-0480 Screening compound: 3,3-dimethyl-6-[(3-methylbutyl)sulfanyl]-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0480
3,3-dimethyl-6-[(3-methylbutyl)sulfanyl]-8-(morpholin-4-yl)-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

3683-0480

Molecular Formula

C20H29N3O2S (C20 H29 N3 O2 S)

Compound Name

3,3-dimethyl-6-[(3-methylbutyl)sulfanyl]-8-(morpholin-4-yl)-1H,3H,4H-pyrano[3,4-c]pyridine-5-carbonitrile

IUPAC name

33-dimethyl-6-[(3-methylbutyl)sulfanyl]-8-(morpholin-4-yl)-1H3H4H-pyrano[34-c]pyridine-5-carbonitrile

SMILES

CC(C)CCSc1nc(N2CCOCC2)c(COC(C)(C)C2)c2c1C#N

InChI

InChI=1S/C20H29N3O2S/c1-14(2)5-10-26-19-16(12-21)15-11-20(3,4)25-13-17(15)18(22-19)23-6-8-24-9-7-23/h14H,5-11,13H2,1-4H3

InChI Key

IPIZYVXTSPGICW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01565492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.722

Distribution Coefficient, logD

4.722

Water Solubility, LogSw

-4.63

Polar Surface Area

44.953

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

3683-0480 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3683-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0480?
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What is the minimum amount of 3683-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0480
  • 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 3683-0480 available by request