P895-0048 Screening compound: N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-cyclopropanecarboxamide

P895-0048 Screening compound: N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-cyclopropanecarboxamide
P895-0048 Screening compound: N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0048
N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-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

P895-0048

Molecular Formula

C17H15N3O2S (C17 H15 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(NC(C1CC1)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C17H15N3O2S/c1-20-13-7-6-11(19-15(21)10-4-5-10)9-14(13)23-16-12(17(20)22)3-2-8-18-16/h2-3,6-10H,4-5H2,1H3,(H,19,21)

InChI Key

TYGQYWNDEXGWQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.304

Distribution Coefficient, logD

2.304

Water Solubility, LogSw

-3.15

Polar Surface Area

50.105

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

P895-0048 in Drug Discovery

Included in Screening Libraries

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

Anti-Aging Library (44940 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

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

C-Met Library (15277 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with P895-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0048?
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What is the minimum amount of P895-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0048
  • 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 P895-0048 available by request