E557-0369 Screening compound: 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

E557-0369 Screening compound: 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
E557-0369 Screening compound: 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E557-0369
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-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

E557-0369

Molecular Formula

C25H30N4O5S (C25 H30 N4 O5 S)

Compound Name

4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

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

SMILES

O=C(CN1c(cc(cc2)S(N3CCCC3)(=O)=O)c2OCC1=O)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C25H30N4O5S/c30-24(27-14-12-26(13-15-27)17-20-6-2-1-3-7-20)18-29-22-16-21(8-9-23(22)34-19-25(29)31)35(32,33)28-10-4-5-11-28/h1-3,6-9,16H,4-5,10-15,17-19H2

InChI Key

OBFMAWRUXUJKMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.489

Distribution Coefficient, logD

1.473

Water Solubility, LogSw

-2.43

Polar Surface Area

76.078

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with E557-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E557-0369?
Check Price and Availability of E557-0369, 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 E557-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E557-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E557-0369
  • 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 E557-0369 available by request