P617-0279 Screening compound: 6-methyl-N~9~-[(5-methyl-2-furyl)methyl]-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

P617-0279 Screening compound: 6-methyl-N~9~-[(5-methyl-2-furyl)methyl]-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
P617-0279 Screening compound: 6-methyl-N~9~-[(5-methyl-2-furyl)methyl]-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P617-0279
6-methyl-N~9~-[(5-methyl-2-furyl)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

P617-0279

Molecular Formula

C20H17N3O3S (C20 H17 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(c(cc2)cc(Sc3ncccc33)c2N(C)C3=O)=O)o1

InChI

InChI=1S/C20H17N3O3S/c1-12-5-7-14(26-12)11-22-18(24)13-6-8-16-17(10-13)27-19-15(4-3-9-21-19)20(25)23(16)2/h3-10H,11H2,1-2H3,(H,22,24)

InChI Key

ZZJVBDYGZZDYFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

2.795

Water Solubility, LogSw

-3.49

Polar Surface Area

58.166

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

P617-0279 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 P617-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P617-0279?
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What is the minimum amount of P617-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P617-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P617-0279
  • 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 P617-0279 available by request