E245-0204 Screening compound: 4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-1-phenethyldihydro-2,6(1H,3H)-pyrazinedione

E245-0204 Screening compound: 4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-1-phenethyldihydro-2,6(1H,3H)-pyrazinedione
E245-0204 Screening compound: 4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-1-phenethyldihydro-2,6(1H,3H)-pyrazinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound E245-0204
4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-1-phenethyldihydro-2,6(1H,3H)-pyrazinedione

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

E245-0204

Molecular Formula

C20H19N3O6S (C20 H19 N3 O6 S)

Compound Name

4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]-1-phenethyldihydro-2,6(1H,3H)-pyrazinedione

IUPAC name

n/a

SMILES

O=C1Nc(cc(cc2)S(N(CC(N3CCc4ccccc4)=O)CC3=O)(=O)=O)c2OC1

InChI

InChI=1S/C20H19N3O6S/c24-18-13-29-17-7-6-15(10-16(17)21-18)30(27,28)22-11-19(25)23(20(26)12-22)9-8-14-4-2-1-3-5-14/h1-7,10H,8-9,11-13H2,(H,21,24)

InChI Key

PINXCVBBNLSLAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14852456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.487

Distribution Coefficient, logD

0.487

Water Solubility, LogSw

-2.50

Polar Surface Area

94.587

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with E245-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E245-0204?
Check Price and Availability of E245-0204, 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 E245-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E245-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E245-0204
  • 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 E245-0204 available by request