E684-0523 Screening compound: 1-[5-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indol-1-yl]ethan-1-one

E684-0523 Screening compound: 1-[5-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indol-1-yl]ethan-1-one
E684-0523 Screening compound: 1-[5-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E684-0523
1-[5-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indol-1-yl]ethan-1-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

E684-0523

Molecular Formula

C28H35ClN4O4S (C28 H35 ClN4 O4 S)

Compound Name

1-[5-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indol-1-yl]ethan-1-one

IUPAC name

1-[5-({4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-23-dihydro-1H-indol-1-yl]ethan-1-one

SMILES

CC(C1)N(C(C)=O)c(cc2)c1cc2S(N(CC1)CCC1C(N(CC1)CCN1c1c(C)ccc(Cl)c1)=O)(=O)=O

InChI

InChI=1S/C28H35ClN4O4S/c1-19-4-5-24(29)18-27(19)30-12-14-31(15-13-30)28(35)22-8-10-32(11-9-22)38(36,37)25-6-7-26-23(17-25)16-20(2)33(26)21(3)34/h4-7,17-18,20,22H,8-16H2,1-3H3/t20-/m1/s1

InChI Key

VYRXOVQXJLMDJC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14909889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.13

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.072

Distribution Coefficient, logD

4.072

Water Solubility, LogSw

-4.44

Polar Surface Area

66.914

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E684-0523 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS targets activity set (6557 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E684-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E684-0523?
Check Price and Availability of E684-0523, 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 E684-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E684-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E684-0523
  • 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 E684-0523 available by request