3228-0057 Screening compound: 3-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-phenylthiourea

3228-0057 Screening compound: 3-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-phenylthiourea
3228-0057 Screening compound: 3-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-phenylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3228-0057
3-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-phenylthiourea

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

3228-0057

Molecular Formula

C13H17N3OS (C13 H17 N3 OS)

Compound Name

3-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-phenylthiourea

IUPAC name

3-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-phenylthiourea

SMILES

O=C1N(CCNC(Nc2ccccc2)=S)CCC1

InChI

InChI=1S/C13H17N3OS/c17-12-7-4-9-16(12)10-8-14-13(18)15-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,14,15,18)

InChI Key

OZMAFADSXYBINI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.658

Distribution Coefficient, logD

0.658

Water Solubility, LogSw

-2.03

Polar Surface Area

37.737

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

3228-0057 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 3228-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3228-0057?
Check Price and Availability of 3228-0057, 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 3228-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3228-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3228-0057
  • 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 3228-0057 available by request