P617-0588 Screening compound: N~9~-(4-cyanophenyl)-6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

P617-0588 Screening compound: N~9~-(4-cyanophenyl)-6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
P617-0588 Screening compound: N~9~-(4-cyanophenyl)-6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P617-0588
N~9~-(4-cyanophenyl)-6-isopropyl-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

P617-0588

Molecular Formula

C23H18N4O2S (C23 H18 N4 O2 S)

Compound Name

N~9~-(4-cyanophenyl)-6-isopropyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide

IUPAC name

N-(4-cyanophenyl)-9-oxo-10-(propan-2-yl)-2-thia-410-diazatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-14-carboxamide

SMILES

CC(C)N(c(ccc(C(Nc(cc1)ccc1C#N)=O)c1)c1Sc1ncccc11)C1=O

InChI

InChI=1S/C23H18N4O2S/c1-14(2)27-19-10-7-16(21(28)26-17-8-5-15(13-24)6-9-17)12-20(19)30-22-18(23(27)29)4-3-11-25-22/h3-12,14H,1-2H3,(H,26,28)

InChI Key

IZLBYZYZLFUTHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29022202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.848

Distribution Coefficient, logD

3.829

Water Solubility, LogSw

-4.11

Polar Surface Area

66.593

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

P617-0588 in Drug Discovery

Included in Screening Libraries

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 P617-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P617-0588?
Check Price and Availability of P617-0588, 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 P617-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P617-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P617-0588
  • 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 P617-0588 available by request