P895-0225 Screening compound: N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-(4-methoxyphenyl)-1-cyclopropanecarboxamide

P895-0225 Screening compound: N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-(4-methoxyphenyl)-1-cyclopropanecarboxamide
P895-0225 Screening compound: N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-(4-methoxyphenyl)-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0225
N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-(4-methoxyphenyl)-1-cyclopropanecarboxamide

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

P895-0225

Molecular Formula

C25H23N3O3S (C25 H23 N3 O3 S)

Compound Name

N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-(4-methoxyphenyl)-1-cyclopropanecarboxamide

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}-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

SMILES

CCN(c(ccc(NC(C1(CC1)c(cc1)ccc1OC)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C25H23N3O3S/c1-3-28-20-11-8-17(15-21(20)32-22-19(23(28)29)5-4-14-26-22)27-24(30)25(12-13-25)16-6-9-18(31-2)10-7-16/h4-11,14-15H,3,12-13H2,1-2H3,(H,27,30)

InChI Key

JOBSINDIRXCMTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.447

Distribution Coefficient, logD

4.447

Water Solubility, LogSw

-4.30

Polar Surface Area

57.336

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

P895-0225 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

C-Met Library (15277 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P895-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0225?
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What is the minimum amount of P895-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0225
  • 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 P895-0225 available by request