E684-0428 Screening compound: 1-[5-({4-[4-(4-acetylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indol-1-yl]ethan-1-one

E684-0428 Screening compound: 1-[5-({4-[4-(4-acetylphenyl)piperazine-1-carbonyl]piperidin-1-yl}sulfonyl)-2-methyl-2,3-dihydro-1H-indol-1-yl]ethan-1-one
E684-0428 Screening compound: 1-[5-({4-[4-(4-acetylphenyl)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 E684-0428
1-[5-({4-[4-(4-acetylphenyl)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

E684-0428

Molecular Formula

C29H36N4O5S (C29 H36 N4 O5 S)

Compound Name

1-[5-({4-[4-(4-acetylphenyl)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-(4-acetylphenyl)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)CCN1c(cc1)ccc1C(C)=O)=O)(=O)=O

InChI

InChI=1S/C29H36N4O5S/c1-20-18-25-19-27(8-9-28(25)33(20)22(3)35)39(37,38)32-12-10-24(11-13-32)29(36)31-16-14-30(15-17-31)26-6-4-23(5-7-26)21(2)34/h4-9,19-20,24H,10-18H2,1-3H3/t20-/m1/s1

InChI Key

FHKPRWLPNNWZSL-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14909873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.69

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.453

Distribution Coefficient, logD

2.453

Water Solubility, LogSw

-2.82

Polar Surface Area

81.042

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.30

E684-0428 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E684-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E684-0428?
Check Price and Availability of E684-0428, 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 E684-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E684-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E684-0428
  • 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 E684-0428 available by request