E557-0342 Screening compound: 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

E557-0342 Screening compound: 4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
E557-0342 Screening compound: 4-[2-(4-cyclohexylpiperazin-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 E557-0342
4-[2-(4-cyclohexylpiperazin-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

E557-0342

Molecular Formula

C24H34N4O5S (C24 H34 N4 O5 S)

Compound Name

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

IUPAC name

4-[2-(4-cyclohexylpiperazin-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)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C24H34N4O5S/c29-23(26-14-12-25(13-15-26)19-6-2-1-3-7-19)17-28-21-16-20(8-9-22(21)33-18-24(28)30)34(31,32)27-10-4-5-11-27/h8-9,16,19H,1-7,10-15,17-18H2

InChI Key

MJJHSSIPHSWNQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.830

Distribution Coefficient, logD

1.667

Water Solubility, LogSw

-2.68

Polar Surface Area

75.631

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

E557-0342 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E557-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E557-0342?
Check Price and Availability of E557-0342, 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 E557-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E557-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E557-0342
  • 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 E557-0342 available by request