E848-1842 Screening compound: N-(4-methylcyclohexyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide

E848-1842 Screening compound: N-(4-methylcyclohexyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide
E848-1842 Screening compound: N-(4-methylcyclohexyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-1842
N-(4-methylcyclohexyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide

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

E848-1842

Molecular Formula

C22H31N3O3S (C22 H31 N3 O3 S)

Compound Name

N-(4-methylcyclohexyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide

IUPAC name

N-(4-methylcyclohexyl)-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide

SMILES

CC(CC1)CCC1NC(CCn(cc1)c(cc2)c1cc2S(N1CCCC1)(=O)=O)=O

InChI

InChI=1S/C22H31N3O3S/c1-17-4-6-19(7-5-17)23-22(26)11-15-24-14-10-18-16-20(8-9-21(18)24)29(27,28)25-12-2-3-13-25/h8-10,14,16-17,19H,2-7,11-13,15H2,1H3,(H,23,26)

InChI Key

PXYSUAWYBNXDIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.288

Distribution Coefficient, logD

4.288

Water Solubility, LogSw

-4.15

Polar Surface Area

58.330

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

E848-1842 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GPCR Targeted Library (31838 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E848-1842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-1842?
Check Price and Availability of E848-1842, 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 E848-1842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-1842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-1842
  • 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 E848-1842 available by request