E848-1942 Screening compound: N-[(3-bromophenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide

E848-1942 Screening compound: N-[(3-bromophenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide
E848-1942 Screening compound: N-[(3-bromophenyl)methyl]-3-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E848-1942
N-[(3-bromophenyl)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

E848-1942

Molecular Formula

C22H24BrN3O3S (C22 H24 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCn(cc1)c(cc2)c1cc2S(N1CCCC1)(=O)=O)NCc1cccc(Br)c1

InChI

InChI=1S/C22H24BrN3O3S/c23-19-5-3-4-17(14-19)16-24-22(27)9-13-25-12-8-18-15-20(6-7-21(18)25)30(28,29)26-10-1-2-11-26/h3-8,12,14-15H,1-2,9-11,13,16H2,(H,24,27)

InChI Key

QMMASOPICVJISK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.888

Distribution Coefficient, logD

3.888

Water Solubility, LogSw

-3.92

Polar Surface Area

58.604

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

E848-1942 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E848-1942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E848-1942?
Check Price and Availability of E848-1942, 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 E848-1942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E848-1942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E848-1942
  • 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 E848-1942 available by request