P895-0133 Screening compound: N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-cyclohexanecarboxamide

P895-0133 Screening compound: N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-cyclohexanecarboxamide
P895-0133 Screening compound: N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0133
N~1~-(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)-1-cyclohexanecarboxamide

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

P895-0133

Molecular Formula

C21H23N3O2S (C21 H23 N3 O2 S)

Compound Name

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

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}cyclohexanecarboxamide

SMILES

CCN(c(ccc(NC(C1CCCCC1)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C21H23N3O2S/c1-2-24-17-11-10-15(23-19(25)14-7-4-3-5-8-14)13-18(17)27-20-16(21(24)26)9-6-12-22-20/h6,9-14H,2-5,7-8H2,1H3,(H,23,25)

InChI Key

GKZPEDCQYJTHST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

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

4.101

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.18

Polar Surface Area

49.733

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

P895-0133 in Drug Discovery

Included in Screening Libraries

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
  • 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 P895-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0133?
Check Price and Availability of P895-0133, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P895-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0133
  • 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 P895-0133 available by request