E015-0467 Screening compound: N-(1-benzylpiperidin-4-yl)-4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide

E015-0467 Screening compound: N-(1-benzylpiperidin-4-yl)-4-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-oxobutanamide
E015-0467 Screening compound: N-(1-benzylpiperidin-4-yl)-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 E015-0467
N-(1-benzylpiperidin-4-yl)-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

E015-0467

Molecular Formula

C25H30ClN3O3 (C25 H30 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)Oc(ccc(Cl)c2)c2N1C(CCC(NC1CCN(Cc2ccccc2)CC1)=O)=O

InChI

InChI=1S/C25H30ClN3O3/c1-18-16-29(22-15-20(26)7-8-23(22)32-18)25(31)10-9-24(30)27-21-11-13-28(14-12-21)17-19-5-3-2-4-6-19/h2-8,15,18,21H,9-14,16-17H2,1H3,(H,27,30)/t18-/m1/s1

InChI Key

LBFGWEBZHALJFI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14838164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

1.766

Water Solubility, LogSw

-3.83

Polar Surface Area

49.810

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

E015-0467 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E015-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-0467?
Check Price and Availability of E015-0467, 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 E015-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-0467
  • 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 E015-0467 available by request