4492-0028 Screening compound: 1,1-dibenzyl-3-[3-(morpholin-4-yl)propyl]thiourea

4492-0028 Screening compound: 1,1-dibenzyl-3-[3-(morpholin-4-yl)propyl]thiourea
4492-0028 Screening compound: 1,1-dibenzyl-3-[3-(morpholin-4-yl)propyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4492-0028
1,1-dibenzyl-3-[3-(morpholin-4-yl)propyl]thiourea

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

4492-0028

Molecular Formula

C22H29N3OS (C22 H29 N3 OS)

Compound Name

1,1-dibenzyl-3-[3-(morpholin-4-yl)propyl]thiourea

IUPAC name

11-dibenzyl-3-[3-(morpholin-4-yl)propyl]thiourea

SMILES

S=C(NCCCN1CCOCC1)N(Cc1ccccc1)Cc1ccccc1

InChI

InChI=1S/C22H29N3OS/c27-22(23-12-7-13-24-14-16-26-17-15-24)25(18-20-8-3-1-4-9-20)19-21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H,23,27)

InChI Key

KZMKKHGMDGPXOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02609550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.114

Distribution Coefficient, logD

2.807

Water Solubility, LogSw

-3.07

Polar Surface Area

23.483

Acid Dissociation Constant (pKa)

18.54

Base Dissociation Constant (pKb)

7.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

4492-0028 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4492-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4492-0028?
Check Price and Availability of 4492-0028, 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 4492-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4492-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4492-0028
  • 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 4492-0028 available by request