E557-0322 Screening compound: ethyl 4-{2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate

E557-0322 Screening compound: ethyl 4-{2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate
E557-0322 Screening compound: ethyl 4-{2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E557-0322
ethyl 4-{2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate

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

E557-0322

Molecular Formula

C21H28N4O7S (C21 H28 N4 O7 S)

Compound Name

ethyl 4-{2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{2-[3-oxo-6-(pyrrolidine-1-sulfonyl)-34-dihydro-2H-14-benzoxazin-4-yl]acetyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(CN1c(cc(cc2)S(N3CCCC3)(=O)=O)c2OCC1=O)=O)=O

InChI

InChI=1S/C21H28N4O7S/c1-2-31-21(28)23-11-9-22(10-12-23)19(26)14-25-17-13-16(5-6-18(17)32-15-20(25)27)33(29,30)24-7-3-4-8-24/h5-6,13H,2-4,7-12,14-15H2,1H3

InChI Key

ZBCKUWRDXLDZNS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.54

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.710

Distribution Coefficient, logD

0.710

Water Solubility, LogSw

-2.39

Polar Surface Area

95.318

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

References: we are preparing a list of scientific research reports with E557-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E557-0322?
Check Price and Availability of E557-0322, 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 E557-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E557-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E557-0322
  • 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 E557-0322 available by request