E667-1106 Screening compound: 6-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

E667-1106 Screening compound: 6-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
E667-1106 Screening compound: 6-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E667-1106
6-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutane-2-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

E667-1106

Molecular Formula

C23H26ClN3O5S (C23 H26 ClN3 O5 S)

Compound Name

6-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CC(CC(N(CC1)CCN1c1c(C)ccc(Cl)c1)=O)S(c(cc1)cc(N2)c1OCC2=O)(=O)=O

InChI

InChI=1S/C23H26ClN3O5S/c1-15-3-4-17(24)12-20(15)26-7-9-27(10-8-26)23(29)11-16(2)33(30,31)18-5-6-21-19(13-18)25-22(28)14-32-21/h3-6,12-13,16H,7-11,14H2,1-2H3,(H,25,28)/t16-/m0/s1

InChI Key

JJOITUJAPQCDCJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14909057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.673

Distribution Coefficient, logD

2.673

Water Solubility, LogSw

-3.48

Polar Surface Area

82.361

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

E667-1106 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E667-1106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E667-1106?
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What is the minimum amount of E667-1106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E667-1106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E667-1106
  • 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 E667-1106 available by request