E848-1801 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide

E848-1801 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide
E848-1801 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-1801
N-[(2H-1,3-benzodioxol-5-yl)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

E848-1801

Molecular Formula

C23H25N3O5S (C23 H25 N3 O5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide

SMILES

O=C(CCn(cc1)c(cc2)c1cc2S(N1CCCC1)(=O)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H25N3O5S/c27-23(24-15-17-3-6-21-22(13-17)31-16-30-21)8-12-25-11-7-18-14-19(4-5-20(18)25)32(28,29)26-9-1-2-10-26/h3-7,11,13-14H,1-2,8-10,12,15-16H2,(H,24,27)

InChI Key

POCBTJDHWVGPBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.048

Distribution Coefficient, logD

3.048

Water Solubility, LogSw

-3.42

Polar Surface Area

75.720

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with E848-1801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-1801?
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What is the minimum amount of E848-1801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-1801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-1801
  • 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 E848-1801 available by request