P619-0413 Screening compound: 11-ethyl-N~8~-(2-methylbenzyl)-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide

P619-0413 Screening compound: 11-ethyl-N~8~-(2-methylbenzyl)-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
P619-0413 Screening compound: 11-ethyl-N~8~-(2-methylbenzyl)-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P619-0413
11-ethyl-N~8~-(2-methylbenzyl)-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide

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

P619-0413

Molecular Formula

C22H21N3O4S (C22 H21 N3 O4 S)

Compound Name

11-ethyl-N~8~-(2-methylbenzyl)-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide

IUPAC name

9-ethyl-N-[(2-methylphenyl)methyl]-10-oxo-2-oxa-79-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaene-13-sulfonamide

SMILES

CCN(c(nccc1)c1Oc(cc1)c2cc1S(NCc1c(C)cccc1)(=O)=O)C2=O

InChI

InChI=1S/C22H21N3O4S/c1-3-25-21-20(9-6-12-23-21)29-19-11-10-17(13-18(19)22(25)26)30(27,28)24-14-16-8-5-4-7-15(16)2/h4-13,24H,3,14H2,1-2H3

InChI Key

AGZDKEZBKFFXNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

4.277

Water Solubility, LogSw

-4.31

Polar Surface Area

74.651

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P619-0413 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P619-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P619-0413?
Check Price and Availability of P619-0413, 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 P619-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P619-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P619-0413
  • 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 P619-0413 available by request