E511-0310 Screening compound: ethyl 4-{3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]propanoyl}piperazine-1-carboxylate

E511-0310 Screening compound: ethyl 4-{3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]propanoyl}piperazine-1-carboxylate
E511-0310 Screening compound: ethyl 4-{3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]propanoyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-0310
ethyl 4-{3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]propanoyl}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

E511-0310

Molecular Formula

C18H23N3O7S (C18 H23 N3 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCN1C(CCS(c(cc1)cc(N2)c1OCC2=O)(=O)=O)=O)=O

InChI

InChI=1S/C18H23N3O7S/c1-2-27-18(24)21-8-6-20(7-9-21)17(23)5-10-29(25,26)13-3-4-15-14(11-13)19-16(22)12-28-15/h3-4,11H,2,5-10,12H2,1H3,(H,19,22)

InChI Key

YITMQUAVNRIDLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14855927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.239

Distribution Coefficient, logD

-0.239

Water Solubility, LogSw

-2.27

Polar Surface Area

101.446

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with E511-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-0310?
Check Price and Availability of E511-0310, 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 E511-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-0310
  • 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 E511-0310 available by request