3829-0622 Screening compound: 2-amino-4-(4-methoxyphenyl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-carbonitrile

3829-0622 Screening compound: 2-amino-4-(4-methoxyphenyl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-carbonitrile
3829-0622 Screening compound: 2-amino-4-(4-methoxyphenyl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3829-0622
2-amino-4-(4-methoxyphenyl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-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

3829-0622

Molecular Formula

C19H21N3O (C19 H21 N3 O)

Compound Name

2-amino-4-(4-methoxyphenyl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-carbonitrile

IUPAC name

2-amino-4-(4-methoxyphenyl)-5H6H7H8H9H10H-cycloocta[b]pyridine-3-carbonitrile

SMILES

COc(cc1)ccc1-c(c(CCCCCC1)c1nc1N)c1C#N

InChI

InChI=1S/C19H21N3O/c1-23-14-10-8-13(9-11-14)18-15-6-4-2-3-5-7-17(15)22-19(21)16(18)12-20/h8-11H,2-7H2,1H3,(H2,21,22)

InChI Key

MVTANPWGMLPJFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00585663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.4

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

4.464

Distribution Coefficient, logD

4.464

Water Solubility, LogSw

-4.66

Polar Surface Area

55.632

Acid Dissociation Constant (pKa)

18.94

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

3829-0622 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3829-0622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3829-0622?
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What is the minimum amount of 3829-0622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3829-0622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3829-0622
  • 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 3829-0622 available by request