E245-0390 Screening compound: 7-[(4-benzylpiperazino)sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one

E245-0390 Screening compound: 7-[(4-benzylpiperazino)sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
E245-0390 Screening compound: 7-[(4-benzylpiperazino)sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E245-0390
7-[(4-benzylpiperazino)sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one

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

E245-0390

Molecular Formula

C20H23N3O4S (C20 H23 N3 O4 S)

Compound Name

7-[(4-benzylpiperazino)sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one

IUPAC name

7-[(4-benzylpiperazin-1-yl)sulfonyl]-6-methyl-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cc(cc(c(OC1)c2)NC1=O)c2S(N1CCN(Cc2ccccc2)CC1)(=O)=O

InChI

InChI=1S/C20H23N3O4S/c1-15-11-17-18(27-14-20(24)21-17)12-19(15)28(25,26)23-9-7-22(8-10-23)13-16-5-3-2-4-6-16/h2-6,11-12H,7-10,13-14H2,1H3,(H,21,24)

InChI Key

CTMRIKKBPTWIAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14852550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.718

Distribution Coefficient, logD

1.711

Water Solubility, LogSw

-2.71

Polar Surface Area

68.760

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

E245-0390 in Drug Discovery

Included in Screening Libraries

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

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E245-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E245-0390?
Check Price and Availability of E245-0390, 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 E245-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E245-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E245-0390
  • 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 E245-0390 available by request