4522-0113 Screening compound: 1-{2-[3-(PROP-1-EN-2-YL)PHENYL]PROPAN-2-YL}-3-(2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)UREA

4522-0113 Screening compound: 1-{2-[3-(PROP-1-EN-2-YL)PHENYL]PROPAN-2-YL}-3-(2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)UREA
4522-0113 Screening compound: 1-{2-[3-(PROP-1-EN-2-YL)PHENYL]PROPAN-2-YL}-3-(2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)UREA alternative view

Chemical Structure Depiction of ChemDiv screening compound 4522-0113
1-{2-[3-(PROP-1-EN-2-YL)PHENYL]PROPAN-2-YL}-3-(2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)UREA

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

4522-0113

Molecular Formula

C22H35N3O (C22 H35 N3 O)

Compound Name

1-{2-[3-(PROP-1-EN-2-YL)PHENYL]PROPAN-2-YL}-3-(2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)UREA

IUPAC name

n/a

SMILES

CC(C)(c1cc(C(C)=C)ccc1)NC(NC1CC(C)(C)NC(C)(C)C1)=O

InChI

InChI=1S/C22H35N3O/c1-15(2)16-10-9-11-17(12-16)22(7,8)24-19(26)23-18-13-20(3,4)25-21(5,6)14-18/h9-12,18,25H,1,13-14H2,2-8H3,(H2,23,24,26)

InChI Key

ZHVMKRAQBNMRAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01088496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

0.224

Water Solubility, LogSw

-3.63

Polar Surface Area

45.045

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

10.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

4522-0113 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4522-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4522-0113?
Check Price and Availability of 4522-0113, 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 4522-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4522-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4522-0113
  • 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 4522-0113 available by request