P617-0491 Screening compound: 6-ethyl-N~9~-methyl-5-oxo-N~9~-phenyl-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

P617-0491 Screening compound: 6-ethyl-N~9~-methyl-5-oxo-N~9~-phenyl-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
P617-0491 Screening compound: 6-ethyl-N~9~-methyl-5-oxo-N~9~-phenyl-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P617-0491
6-ethyl-N~9~-methyl-5-oxo-N~9~-phenyl-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

P617-0491

Molecular Formula

C22H19N3O2S (C22 H19 N3 O2 S)

Compound Name

6-ethyl-N~9~-methyl-5-oxo-N~9~-phenyl-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

IUPAC name

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

SMILES

CCN(c(ccc(C(N(C)c1ccccc1)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C22H19N3O2S/c1-3-25-18-12-11-15(21(26)24(2)16-8-5-4-6-9-16)14-19(18)28-20-17(22(25)27)10-7-13-23-20/h4-14H,3H2,1-2H3

InChI Key

DOCDHRGFQNOWRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.394

Distribution Coefficient, logD

3.394

Water Solubility, LogSw

-3.80

Polar Surface Area

41.818

Acid Dissociation Constant (pKa)

27.34

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

P617-0491 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with P617-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P617-0491?
Check Price and Availability of P617-0491, 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 P617-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P617-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P617-0491
  • 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 P617-0491 available by request