E684-0380 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide

E684-0380 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
E684-0380 Screening compound: 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E684-0380
1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(1-benzylpiperidin-4-yl)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

E684-0380

Molecular Formula

C29H38N4O4S (C29 H38 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)N(C(C)=O)c(cc2)c1cc2S(N(CC1)CCC1C(NC1CCN(Cc2ccccc2)CC1)=O)(=O)=O

InChI

InChI=1S/C29H38N4O4S/c1-21-18-25-19-27(8-9-28(25)33(21)22(2)34)38(36,37)32-16-10-24(11-17-32)29(35)30-26-12-14-31(15-13-26)20-23-6-4-3-5-7-23/h3-9,19,21,24,26H,10-18,20H2,1-2H3,(H,30,35)/t21-/m1/s1

InChI Key

CPQFSJLFDJLZBE-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14909867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.71

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.595

Distribution Coefficient, logD

1.038

Water Solubility, LogSw

-3.07

Polar Surface Area

74.986

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.70

E684-0380 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E684-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E684-0380?
Check Price and Availability of E684-0380, 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 E684-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E684-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E684-0380
  • 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 E684-0380 available by request