E015-1253 Screening compound: 1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione

E015-1253 Screening compound: 1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione
E015-1253 Screening compound: 1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E015-1253
1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione

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

E015-1253

Molecular Formula

C22H26N4O3 (C22 H26 N4 O3)

Compound Name

1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-1,4-dione

IUPAC name

1-(2-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butane-14-dione

SMILES

CC(C1)Oc(cccc2)c2N1C(CCC(N(CC1)CCN1c1ncccc1)=O)=O

InChI

InChI=1S/C22H26N4O3/c1-17-16-26(18-6-2-3-7-19(18)29-17)22(28)10-9-21(27)25-14-12-24(13-15-25)20-8-4-5-11-23-20/h2-8,11,17H,9-10,12-16H2,1H3/t17-/m1/s1

InChI Key

RISWRZUZQFBYBB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14838359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.356

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-2.43

Polar Surface Area

50.236

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

E015-1253 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with E015-1253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E015-1253?
Check Price and Availability of E015-1253, 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 E015-1253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E015-1253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E015-1253
  • 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 E015-1253 available by request