8017-3405 Screening compound: 2-amino-4-(3-methoxyphenyl)-5,6-dimethyl-3-pyridyl cyanide

8017-3405 Screening compound: 2-amino-4-(3-methoxyphenyl)-5,6-dimethyl-3-pyridyl cyanide
8017-3405 Screening compound: 2-amino-4-(3-methoxyphenyl)-5,6-dimethyl-3-pyridyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3405
2-amino-4-(3-methoxyphenyl)-5,6-dimethyl-3-pyridyl cyanide

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

8017-3405

Molecular Formula

C15H15N3O (C15 H15 N3 O)

Compound Name

2-amino-4-(3-methoxyphenyl)-5,6-dimethyl-3-pyridyl cyanide

IUPAC name

2-amino-4-(3-methoxyphenyl)-56-dimethylpyridine-3-carbonitrile

SMILES

Cc(c(-c1cccc(OC)c1)c1C#N)c(C)nc1N

InChI

InChI=1S/C15H15N3O/c1-9-10(2)18-15(17)13(8-16)14(9)11-5-4-6-12(7-11)19-3/h4-7H,1-3H3,(H2,17,18)

InChI Key

ASHHFFZBYSNXGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04100182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.617

Distribution Coefficient, logD

2.616

Water Solubility, LogSw

-2.92

Polar Surface Area

54.456

Acid Dissociation Constant (pKa)

18.92

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8017-3405 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-3405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3405?
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What is the minimum amount of 8017-3405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3405
  • 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 8017-3405 available by request