P895-0101 Screening compound: 2-(3-chloro-4-methoxyphenyl)-N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)acetamide

P895-0101 Screening compound: 2-(3-chloro-4-methoxyphenyl)-N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)acetamide
P895-0101 Screening compound: 2-(3-chloro-4-methoxyphenyl)-N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0101
2-(3-chloro-4-methoxyphenyl)-N~1~-(6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)acetamide

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

P895-0101

Molecular Formula

C22H18ClN3O3S (C22 H18 ClN3 O3 S)

Compound Name

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

IUPAC name

2-(3-chloro-4-methoxyphenyl)-N-{10-methyl-9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaen-14-yl}acetamide

SMILES

CN(c(ccc(NC(Cc(cc1)cc(Cl)c1OC)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C22H18ClN3O3S/c1-26-17-7-6-14(12-19(17)30-21-15(22(26)28)4-3-9-24-21)25-20(27)11-13-5-8-18(29-2)16(23)10-13/h3-10,12H,11H2,1-2H3,(H,25,27)

InChI Key

GIEDPRSRZIJPPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29026651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.409

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-3.79

Polar Surface Area

56.999

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

P895-0101 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 P895-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0101?
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What is the minimum amount of P895-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0101
  • 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 P895-0101 available by request