3826-1597 Screening compound: 2-amino-4-(2-ethoxyphenyl)-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile

3826-1597 Screening compound: 2-amino-4-(2-ethoxyphenyl)-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile
3826-1597 Screening compound: 2-amino-4-(2-ethoxyphenyl)-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3826-1597
2-amino-4-(2-ethoxyphenyl)-5H,6H,7H,8H,9H-cyclohepta[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

3826-1597

Molecular Formula

C19H21N3O (C19 H21 N3 O)

Compound Name

2-amino-4-(2-ethoxyphenyl)-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile

IUPAC name

2-amino-4-(2-ethoxyphenyl)-5H6H7H8H9H-cyclohepta[b]pyridine-3-carbonitrile

SMILES

CCOc(cccc1)c1-c(c(CCCCC1)c1nc1N)c1C#N

InChI

InChI=1S/C19H21N3O/c1-2-23-17-11-7-6-9-14(17)18-13-8-4-3-5-10-16(13)22-19(21)15(18)12-20/h6-7,9,11H,2-5,8,10H2,1H3,(H2,21,22)

InChI Key

KZVJATLFPVZMPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02733347

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

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

4.027

Water Solubility, LogSw

-4.55

Polar Surface Area

55.298

Acid Dissociation Constant (pKa)

19.25

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

3826-1597 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
  • Others
  • Kinases
Agro:
  • Agro
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3826-1597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3826-1597?
Check Price and Availability of 3826-1597, 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 3826-1597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3826-1597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3826-1597
  • 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 3826-1597 available by request