P617-0445 Screening compound: 6-ethyl-N~9~-(3-fluorobenzyl)-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

P617-0445 Screening compound: 6-ethyl-N~9~-(3-fluorobenzyl)-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
P617-0445 Screening compound: 6-ethyl-N~9~-(3-fluorobenzyl)-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P617-0445
6-ethyl-N~9~-(3-fluorobenzyl)-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

P617-0445

Molecular Formula

C22H18FN3O2S (C22 H18 FN3 O2 S)

Compound Name

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

IUPAC name

10-ethyl-N-[(3-fluorophenyl)methyl]-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(NCc1cc(F)ccc1)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C22H18FN3O2S/c1-2-26-18-9-8-15(20(27)25-13-14-5-3-6-16(23)11-14)12-19(18)29-21-17(22(26)28)7-4-10-24-21/h3-12H,2,13H2,1H3,(H,25,27)

InChI Key

LCXQCTQWQXLPIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.778

Distribution Coefficient, logD

3.778

Water Solubility, LogSw

-3.94

Polar Surface Area

50.863

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

P617-0445 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P617-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P617-0445?
Check Price and Availability of P617-0445, 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 P617-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P617-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P617-0445
  • 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 P617-0445 available by request