E015-0543 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide

E015-0543 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide
E015-0543 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-0543
N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-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

E015-0543

Molecular Formula

C28H36ClN3O3 (C28 H36 ClN3 O3)

Compound Name

N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide

IUPAC name

N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(6-chloro-2-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-4-oxobutanamide

SMILES

CC(C1)Oc(ccc(Cl)c2)c2N1C(CCC(NCCCN1CCC(Cc2ccccc2)CC1)=O)=O

InChI

InChI=1S/C28H36ClN3O3/c1-21-20-32(25-19-24(29)8-9-26(25)35-21)28(34)11-10-27(33)30-14-5-15-31-16-12-23(13-17-31)18-22-6-3-2-4-7-22/h2-4,6-9,19,21,23H,5,10-18,20H2,1H3,(H,30,33)/t21-/m1/s1

InChI Key

QRFXWUZQZNSJDZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14838172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.250

Distribution Coefficient, logD

2.158

Water Solubility, LogSw

-4.39

Polar Surface Area

50.096

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

9.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E015-0543 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with E015-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-0543?
Check Price and Availability of E015-0543, 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 E015-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-0543
  • 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 E015-0543 available by request