P895-0289 Screening compound: N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-cyclobutanecarboxamide

P895-0289 Screening compound: N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-cyclobutanecarboxamide
P895-0289 Screening compound: N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0289
N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-cyclobutanecarboxamide

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

P895-0289

Molecular Formula

C20H21N3O2S (C20 H21 N3 O2 S)

Compound Name

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

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]cyclobutanecarboxamide

SMILES

CC(C)N(c(ccc(NC(C1CCC1)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C20H21N3O2S/c1-12(2)23-16-9-8-14(22-18(24)13-5-3-6-13)11-17(16)26-19-15(20(23)25)7-4-10-21-19/h4,7-13H,3,5-6H2,1-2H3,(H,22,24)

InChI Key

MFWLMEDFDRJQSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.876

Distribution Coefficient, logD

2.876

Water Solubility, LogSw

-3.55

Polar Surface Area

50.060

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

P895-0289 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P895-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0289?
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What is the minimum amount of P895-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0289
  • 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 P895-0289 available by request