E684-0716 Screening compound: 1-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

E684-0716 Screening compound: 1-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
E684-0716 Screening compound: 1-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E684-0716
1-[(1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-[(3-methoxyphenyl)methyl]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

E684-0716

Molecular Formula

C27H33N3O5S (C27 H33 N3 O5 S)

Compound Name

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

IUPAC name

1-[(1-cyclopropanecarbonyl-2-methyl-23-dihydro-1H-indol-5-yl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

SMILES

CC(C1)N(C(C2CC2)=O)c(cc2)c1cc2S(N(CC1)CCC1C(NCc1cc(OC)ccc1)=O)(=O)=O

InChI

InChI=1S/C27H33N3O5S/c1-18-14-22-16-24(8-9-25(22)30(18)27(32)21-6-7-21)36(33,34)29-12-10-20(11-13-29)26(31)28-17-19-4-3-5-23(15-19)35-2/h3-5,8-9,15-16,18,20-21H,6-7,10-14,17H2,1-2H3,(H,28,31)/t18-/m1/s1

InChI Key

DWUOIWWGFIMJKJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14909937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-3.55

Polar Surface Area

79.047

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

E684-0716 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E684-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E684-0716?
Check Price and Availability of E684-0716, 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 E684-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E684-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E684-0716
  • 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 E684-0716 available by request