E699-0248 Screening compound: 5-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-1-methyl-2,3-dihydro-1H-indol-2-one

E699-0248 Screening compound: 5-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-1-methyl-2,3-dihydro-1H-indol-2-one
E699-0248 Screening compound: 5-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-1-methyl-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E699-0248
5-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-1-methyl-2,3-dihydro-1H-indol-2-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

E699-0248

Molecular Formula

C21H24ClN3O4S (C21 H24 ClN3 O4 S)

Compound Name

5-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-1-methyl-2,3-dihydro-1H-indol-2-one

IUPAC name

5-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}sulfonyl)-1-methyl-23-dihydro-1H-indol-2-one

SMILES

CN(C(C1)=O)c(cc2)c1cc2S(N1CCN(CCOc(cc2)ccc2Cl)CC1)(=O)=O

InChI

InChI=1S/C21H24ClN3O4S/c1-23-20-7-6-19(14-16(20)15-21(23)26)30(27,28)25-10-8-24(9-11-25)12-13-29-18-4-2-17(22)3-5-18/h2-7,14H,8-13,15H2,1H3

InChI Key

MQRJBMFVKDTEDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.781

Distribution Coefficient, logD

2.778

Water Solubility, LogSw

-3.44

Polar Surface Area

58.670

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E699-0248 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E699-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E699-0248?
Check Price and Availability of E699-0248, 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 E699-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E699-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E699-0248
  • 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 E699-0248 available by request