4483-3494 Screening compound: 2-oxo-2-phenylethyl 3-{[4-(4-tert-butylphenoxy)phenyl]carbamoyl}propanoate

4483-3494 Screening compound: 2-oxo-2-phenylethyl 3-{[4-(4-tert-butylphenoxy)phenyl]carbamoyl}propanoate
4483-3494 Screening compound: 2-oxo-2-phenylethyl 3-{[4-(4-tert-butylphenoxy)phenyl]carbamoyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-3494
2-oxo-2-phenylethyl 3-{[4-(4-tert-butylphenoxy)phenyl]carbamoyl}propanoate

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

4483-3494

Molecular Formula

C28H29NO5 (C28 H29 NO5)

Compound Name

2-oxo-2-phenylethyl 3-{[4-(4-tert-butylphenoxy)phenyl]carbamoyl}propanoate

IUPAC name

2-oxo-2-phenylethyl 3-{[4-(4-tert-butylphenoxy)phenyl]carbamoyl}propanoate

SMILES

CC(C)(C)c(cc1)ccc1Oc(cc1)ccc1NC(CCC(OCC(c1ccccc1)=O)=O)=O

InChI

InChI=1S/C28H29NO5/c1-28(2,3)21-9-13-23(14-10-21)34-24-15-11-22(12-16-24)29-26(31)17-18-27(32)33-19-25(30)20-7-5-4-6-8-20/h4-16H,17-19H2,1-3H3,(H,29,31)

InChI Key

DPDAEPUFTHWJOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02822502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.899

Distribution Coefficient, logD

5.899

Water Solubility, LogSw

-5.67

Polar Surface Area

63.645

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4483-3494 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4483-3494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-3494?
Check Price and Availability of 4483-3494, 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 4483-3494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-3494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-3494
  • 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 4483-3494 available by request