E245-0416 Screening compound: N-(1-benzylpiperidin-4-yl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

E245-0416 Screening compound: N-(1-benzylpiperidin-4-yl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
E245-0416 Screening compound: N-(1-benzylpiperidin-4-yl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E245-0416
N-(1-benzylpiperidin-4-yl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

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

E245-0416

Molecular Formula

C21H25N3O4S (C21 H25 N3 O4 S)

Compound Name

N-(1-benzylpiperidin-4-yl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-6-methyl-3-oxo-34-dihydro-2H-14-benzoxazine-7-sulfonamide

SMILES

Cc(cc(c(OC1)c2)NC1=O)c2S(NC1CCN(Cc2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C21H25N3O4S/c1-15-11-18-19(28-14-21(25)22-18)12-20(15)29(26,27)23-17-7-9-24(10-8-17)13-16-5-3-2-4-6-16/h2-6,11-12,17,23H,7-10,13-14H2,1H3,(H,22,25)

InChI Key

QBPAAVOYDNXNJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14852570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.010

Distribution Coefficient, logD

0.949

Water Solubility, LogSw

-2.71

Polar Surface Area

78.746

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

8.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E245-0416 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E245-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E245-0416?
Check Price and Availability of E245-0416, 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 E245-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E245-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E245-0416
  • 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 E245-0416 available by request