E848-0001 Screening compound: N-[(3-chlorophenyl)methyl]-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide

E848-0001 Screening compound: N-[(3-chlorophenyl)methyl]-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide
E848-0001 Screening compound: N-[(3-chlorophenyl)methyl]-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-0001
N-[(3-chlorophenyl)methyl]-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide

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

E848-0001

Molecular Formula

C21H22ClN3O3S (C21 H22 ClN3 O3 S)

Compound Name

N-[(3-chlorophenyl)methyl]-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide

IUPAC name

N-[(3-chlorophenyl)methyl]-2-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]acetamide

SMILES

O=C(Cn(cc1)c(cc2)c1cc2S(N1CCCC1)(=O)=O)NCc1cccc(Cl)c1

InChI

InChI=1S/C21H22ClN3O3S/c22-18-5-3-4-16(12-18)14-23-21(26)15-24-11-8-17-13-19(6-7-20(17)24)29(27,28)25-9-1-2-10-25/h3-8,11-13H,1-2,9-10,14-15H2,(H,23,26)

InChI Key

FLHWJTDZFRGTBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.94

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

3.578

Distribution Coefficient, logD

3.578

Water Solubility, LogSw

-3.71

Polar Surface Area

58.626

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E848-0001 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E848-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-0001?
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What is the minimum amount of E848-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-0001
  • 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 E848-0001 available by request