P617-0347 Screening compound: N~9~-(1,3-benzodioxol-5-ylmethyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

P617-0347 Screening compound: N~9~-(1,3-benzodioxol-5-ylmethyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
P617-0347 Screening compound: N~9~-(1,3-benzodioxol-5-ylmethyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P617-0347
N~9~-(1,3-benzodioxol-5-ylmethyl)-6-methyl-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

P617-0347

Molecular Formula

C22H17N3O4S (C22 H17 N3 O4 S)

Compound Name

N~9~-(1,3-benzodioxol-5-ylmethyl)-6-methyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-10-methyl-9-oxo-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-14-carboxamide

SMILES

CN(c(ccc(C(NCc(cc1)cc2c1OCO2)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C22H17N3O4S/c1-25-16-6-5-14(10-19(16)30-21-15(22(25)27)3-2-8-23-21)20(26)24-11-13-4-7-17-18(9-13)29-12-28-17/h2-10H,11-12H2,1H3,(H,24,26)

InChI Key

LMTFSTSFJOKEMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.651

Distribution Coefficient, logD

2.651

Water Solubility, LogSw

-3.27

Polar Surface Area

68.019

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

P617-0347 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P617-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P617-0347?
Check Price and Availability of P617-0347, 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 P617-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P617-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P617-0347
  • 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 P617-0347 available by request