E015-0059 Screening compound: ethyl 4-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamido]piperidine-1-carboxylate

E015-0059 Screening compound: ethyl 4-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamido]piperidine-1-carboxylate
E015-0059 Screening compound: ethyl 4-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-0059
ethyl 4-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamido]piperidine-1-carboxylate

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

E015-0059

Molecular Formula

C20H26ClN3O5 (C20 H26 ClN3 O5)

Compound Name

ethyl 4-[4-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[4-(6-chloro-34-dihydro-2H-14-benzoxazin-4-yl)-4-oxobutanamido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(CCC(N1c(cc(cc2)Cl)c2OCC1)=O)=O)=O

InChI

InChI=1S/C20H26ClN3O5/c1-2-28-20(27)23-9-7-15(8-10-23)22-18(25)5-6-19(26)24-11-12-29-17-4-3-14(21)13-16(17)24/h3-4,13,15H,2,5-12H2,1H3,(H,22,25)

InChI Key

UCBYMBNSJKRTGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.075

Distribution Coefficient, logD

2.075

Water Solubility, LogSw

-3.02

Polar Surface Area

69.952

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

E015-0059 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E015-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-0059?
Check Price and Availability of E015-0059, 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 E015-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-0059
  • 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 E015-0059 available by request