E986-1019 Screening compound: N~1~-(2,5-dimethoxybenzyl)-4-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-4-oxobutanamide

E986-1019 Screening compound: N~1~-(2,5-dimethoxybenzyl)-4-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-4-oxobutanamide
E986-1019 Screening compound: N~1~-(2,5-dimethoxybenzyl)-4-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E986-1019
N~1~-(2,5-dimethoxybenzyl)-4-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-4-oxobutanamide

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

E986-1019

Molecular Formula

C26H27N3O6 (C26 H27 N3 O6)

Compound Name

N~1~-(2,5-dimethoxybenzyl)-4-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-4-oxobutanamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-4-{15-methoxy-2-oxa-49-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-9-yl}-4-oxobutanamide

SMILES

COc(cc1)cc(CNC(CCC(N(C2)c(cccn3)c3Oc3c2cccc3OC)=O)=O)c1OC

InChI

InChI=1S/C26H27N3O6/c1-32-19-9-10-21(33-2)18(14-19)15-28-23(30)11-12-24(31)29-16-17-6-4-8-22(34-3)25(17)35-26-20(29)7-5-13-27-26/h4-10,13-14H,11-12,15-16H2,1-3H3,(H,28,30)

InChI Key

VJLAGQBCFNCQEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.103

Distribution Coefficient, logD

3.103

Water Solubility, LogSw

-3.47

Polar Surface Area

79.109

Acid Dissociation Constant (pKa)

13.44

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.92

E986-1019 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E986-1019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E986-1019?
Check Price and Availability of E986-1019, 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 E986-1019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E986-1019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E986-1019
  • 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 E986-1019 available by request