E684-0431 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide

E684-0431 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide
E684-0431 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E684-0431
1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide

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

E684-0431

Molecular Formula

C25H31N3O6S (C25 H31 N3 O6 S)

Compound Name

1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide

IUPAC name

1-[(1-acetyl-2-methyl-23-dihydro-1H-indol-5-yl)sulfonyl]-N-(24-dimethoxyphenyl)piperidine-4-carboxamide

SMILES

CC(C1)N(C(C)=O)c(cc2)c1cc2S(N(CC1)CCC1C(Nc(ccc(OC)c1)c1OC)=O)(=O)=O

InChI

InChI=1S/C25H31N3O6S/c1-16-13-19-14-21(6-8-23(19)28(16)17(2)29)35(31,32)27-11-9-18(10-12-27)25(30)26-22-7-5-20(33-3)15-24(22)34-4/h5-8,14-16,18H,9-13H2,1-4H3,(H,26,30)/t16-/m1/s1

InChI Key

IJMBEIMSKIOIMX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14909874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.596

Distribution Coefficient, logD

2.595

Water Solubility, LogSw

-3.23

Polar Surface Area

84.874

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

E684-0431 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with E684-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E684-0431?
Check Price and Availability of E684-0431, 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 E684-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E684-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E684-0431
  • 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 E684-0431 available by request