E245-0515 Screening compound: N~7~-[2-(4-benzylpiperazino)ethyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

E245-0515 Screening compound: N~7~-[2-(4-benzylpiperazino)ethyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
E245-0515 Screening compound: N~7~-[2-(4-benzylpiperazino)ethyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E245-0515
N~7~-[2-(4-benzylpiperazino)ethyl]-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

E245-0515

Molecular Formula

C22H28N4O4S (C22 H28 N4 O4 S)

Compound Name

N~7~-[2-(4-benzylpiperazino)ethyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide

IUPAC name

n/a

SMILES

Cc(cc(c(OC1)c2)NC1=O)c2S(NCCN1CCN(Cc2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C22H28N4O4S/c1-17-13-19-20(30-16-22(27)24-19)14-21(17)31(28,29)23-7-8-25-9-11-26(12-10-25)15-18-5-3-2-4-6-18/h2-6,13-14,23H,7-12,15-16H2,1H3,(H,24,27)

InChI Key

XHCAIAMSHWLNAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14852625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.570

Distribution Coefficient, logD

1.431

Water Solubility, LogSw

-2.61

Polar Surface Area

82.631

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E245-0515 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E245-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E245-0515?
Check Price and Availability of E245-0515, 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 E245-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E245-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E245-0515
  • 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 E245-0515 available by request