E848-1796 Screening compound: N-[(4-methoxyphenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide

E848-1796 Screening compound: N-[(4-methoxyphenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide
E848-1796 Screening compound: N-[(4-methoxyphenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-1796
N-[(4-methoxyphenyl)methyl]-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

E848-1796

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CNC(CCn(cc2)c(cc3)c2cc3S(N2CCCC2)(=O)=O)=O)cc1

InChI

InChI=1S/C23H27N3O4S/c1-30-20-6-4-18(5-7-20)17-24-23(27)11-15-25-14-10-19-16-21(8-9-22(19)25)31(28,29)26-12-2-3-13-26/h4-10,14,16H,2-3,11-13,15,17H2,1H3,(H,24,27)

InChI Key

JNPXZRIXLQIZOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

3.117

Water Solubility, LogSw

-3.54

Polar Surface Area

66.148

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

E848-1796 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E848-1796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-1796?
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What is the minimum amount of E848-1796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-1796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-1796
  • 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 E848-1796 available by request