4774-3864 Screening compound: 1-(2-phenoxyethyl)-3-(pyrrolidine-1-carbothioyl)-1H-indole

4774-3864 Screening compound: 1-(2-phenoxyethyl)-3-(pyrrolidine-1-carbothioyl)-1H-indole
4774-3864 Screening compound: 1-(2-phenoxyethyl)-3-(pyrrolidine-1-carbothioyl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4774-3864
1-(2-phenoxyethyl)-3-(pyrrolidine-1-carbothioyl)-1H-indole

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

4774-3864

Molecular Formula

C21H22N2OS (C21 H22 N2 OS)

Compound Name

1-(2-phenoxyethyl)-3-(pyrrolidine-1-carbothioyl)-1H-indole

IUPAC name

1-(2-phenoxyethyl)-3-(pyrrolidine-1-carbothioyl)-1H-indole

SMILES

S=C(c1cn(CCOc2ccccc2)c2c1cccc2)N1CCCC1

InChI

InChI=1S/C21H22N2OS/c25-21(22-12-6-7-13-22)19-16-23(20-11-5-4-10-18(19)20)14-15-24-17-8-2-1-3-9-17/h1-5,8-11,16H,6-7,12-15H2

InChI Key

CLLDGZJVIZEVBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03083315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.934

Distribution Coefficient, logD

4.934

Water Solubility, LogSw

-4.81

Polar Surface Area

11.681

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

12.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4774-3864 in Drug Discovery

Included in Screening Libraries

Human Phosphatases Annotated Library (206 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4774-3864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4774-3864?
Check Price and Availability of 4774-3864, 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 4774-3864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4774-3864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4774-3864
  • 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 4774-3864 available by request