C798-0746 Screening compound: N~5~-(3-chlorophenyl)pyrido[2,3-b][1,4]benzoxazepine-5(6H)-carboxamide

C798-0746 Screening compound: N~5~-(3-chlorophenyl)pyrido[2,3-b][1,4]benzoxazepine-5(6H)-carboxamide
C798-0746 Screening compound: N~5~-(3-chlorophenyl)pyrido[2,3-b][1,4]benzoxazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-0746
N~5~-(3-chlorophenyl)pyrido[2,3-b][1,4]benzoxazepine-5(6H)-carboxamide

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

C798-0746

Molecular Formula

C19H14ClN3O2 (C19 H14 ClN3 O2)

Compound Name

N~5~-(3-chlorophenyl)pyrido[2,3-b][1,4]benzoxazepine-5(6H)-carboxamide

IUPAC name

N-(3-chlorophenyl)-2-oxa-49-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaene-9-carboxamide

SMILES

O=C(Nc1cccc(Cl)c1)N(C1)c(cccn2)c2Oc2c1cccc2

InChI

InChI=1S/C19H14ClN3O2/c20-14-6-3-7-15(11-14)22-19(24)23-12-13-5-1-2-9-17(13)25-18-16(23)8-4-10-21-18/h1-11H,12H2,(H,22,24)

InChI Key

GRAHRZRQIQZZCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.832

Distribution Coefficient, logD

4.832

Water Solubility, LogSw

-4.98

Polar Surface Area

41.496

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

C798-0746 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro
  • Agro
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C798-0746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-0746?
Check Price and Availability of C798-0746, 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 C798-0746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-0746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-0746
  • 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 C798-0746 available by request