P895-0314 Screening compound: 2-(4-fluorophenoxy)-N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)acetamide

P895-0314 Screening compound: 2-(4-fluorophenoxy)-N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)acetamide
P895-0314 Screening compound: 2-(4-fluorophenoxy)-N~1~-(6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P895-0314
2-(4-fluorophenoxy)-N~1~-(6-isopropyl-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

P895-0314

Molecular Formula

C23H20FN3O3S (C23 H20 FN3 O3 S)

Compound Name

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

IUPAC name

2-(4-fluorophenoxy)-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]acetamide

SMILES

CC(C)N(c(ccc(NC(COc(cc1)ccc1F)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C23H20FN3O3S/c1-14(2)27-19-10-7-16(26-21(28)13-30-17-8-5-15(24)6-9-17)12-20(19)31-22-18(23(27)29)4-3-11-25-22/h3-12,14H,13H2,1-2H3,(H,26,28)

InChI Key

RAPPPRFRRKKJBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29027116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.306

Distribution Coefficient, logD

4.306

Water Solubility, LogSw

-4.31

Polar Surface Area

56.822

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

P895-0314 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P895-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P895-0314?
Check Price and Availability of P895-0314, 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 P895-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P895-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P895-0314
  • 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 P895-0314 available by request