E986-0833 Screening compound: 4-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~1~-(4-methylbenzyl)-4-oxobutanamide

E986-0833 Screening compound: 4-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~1~-(4-methylbenzyl)-4-oxobutanamide
E986-0833 Screening compound: 4-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~1~-(4-methylbenzyl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E986-0833
4-[10-methoxypyrido[2,3-b][1,4]benzoxazepin-5(6H)-yl]-N~1~-(4-methylbenzyl)-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

E986-0833

Molecular Formula

C25H25N3O4 (C25 H25 N3 O4)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1ccc(CNC(CCC(N(C2)c(cccn3)c3Oc3c2cccc3OC)=O)=O)cc1

InChI

InChI=1S/C25H25N3O4/c1-17-8-10-18(11-9-17)15-27-22(29)12-13-23(30)28-16-19-5-3-7-21(31-2)24(19)32-25-20(28)6-4-14-26-25/h3-11,14H,12-13,15-16H2,1-2H3,(H,27,29)

InChI Key

IYGRFIDSYRJYDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.326

Distribution Coefficient, logD

3.326

Water Solubility, LogSw

-3.56

Polar Surface Area

63.934

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

E986-0833 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E986-0833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E986-0833?
Check Price and Availability of E986-0833, 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 E986-0833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E986-0833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E986-0833
  • 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 E986-0833 available by request