P895-0214 Screening compound: N~3~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-6-methoxynicotinamide

P895-0214 Screening compound: N~3~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-6-methoxynicotinamide
P895-0214 Screening compound: N~3~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-6-methoxynicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0214
N~3~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-6-methoxynicotinamide

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

P895-0214

Molecular Formula

C21H18N4O3S (C21 H18 N4 O3 S)

Compound Name

N~3~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-6-methoxynicotinamide

IUPAC name

N-{10-ethyl-9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-14-yl}-6-methoxypyridine-3-carboxamide

SMILES

CCN(c(ccc(NC(c(cc1)cnc1OC)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C21H18N4O3S/c1-3-25-16-8-7-14(24-19(26)13-6-9-18(28-2)23-12-13)11-17(16)29-20-15(21(25)27)5-4-10-22-20/h4-12H,3H2,1-2H3,(H,24,26)

InChI Key

MBONGUFMWPEFPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.565

Distribution Coefficient, logD

3.565

Water Solubility, LogSw

-3.67

Polar Surface Area

66.122

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

P895-0214 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

C-Met Library (15277 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P895-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0214?
Check Price and Availability of P895-0214, 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 P895-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0214
  • 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 P895-0214 available by request