P617-0425 Screening compound: 6-ethyl-N~9~-(2-methoxyethyl)-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

P617-0425 Screening compound: 6-ethyl-N~9~-(2-methoxyethyl)-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
P617-0425 Screening compound: 6-ethyl-N~9~-(2-methoxyethyl)-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P617-0425
6-ethyl-N~9~-(2-methoxyethyl)-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

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

P617-0425

Molecular Formula

C18H19N3O3S (C18 H19 N3 O3 S)

Compound Name

6-ethyl-N~9~-(2-methoxyethyl)-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

IUPAC name

10-ethyl-N-(2-methoxyethyl)-9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-14-carboxamide

SMILES

CCN(c(ccc(C(NCCOC)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C18H19N3O3S/c1-3-21-14-7-6-12(16(22)19-9-10-24-2)11-15(14)25-17-13(18(21)23)5-4-8-20-17/h4-8,11H,3,9-10H2,1-2H3,(H,19,22)

InChI Key

JDFNZNMWVYPQIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

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

2.107

Distribution Coefficient, logD

2.107

Water Solubility, LogSw

-2.97

Polar Surface Area

59.318

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

P617-0425 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P617-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P617-0425?
Check Price and Availability of P617-0425, 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 P617-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P617-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P617-0425
  • 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 P617-0425 available by request