P895-0332 Screening compound: N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-phenyl-1-cyclopropanecarboxamide

P895-0332 Screening compound: N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-phenyl-1-cyclopropanecarboxamide
P895-0332 Screening compound: N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-phenyl-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0332
N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-phenyl-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

P895-0332

Molecular Formula

C25H23N3O2S (C25 H23 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)N(c(ccc(NC(C1(CC1)c1ccccc1)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C25H23N3O2S/c1-16(2)28-20-11-10-18(15-21(20)31-22-19(23(28)29)9-6-14-26-22)27-24(30)25(12-13-25)17-7-4-3-5-8-17/h3-11,14-16H,12-13H2,1-2H3,(H,27,30)

InChI Key

ZHJAUHZTDNXYRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.606

Distribution Coefficient, logD

4.606

Water Solubility, LogSw

-4.37

Polar Surface Area

49.788

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

P895-0332 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with P895-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0332?
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What is the minimum amount of P895-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0332
  • 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 P895-0332 available by request