4275-2005 Screening compound: ethyl 3-{[2-(4-ethoxy-4-oxo-N-phenylbutanamido)ethyl](phenyl)carbamoyl}propanoate

4275-2005 Screening compound: ethyl 3-{[2-(4-ethoxy-4-oxo-N-phenylbutanamido)ethyl](phenyl)carbamoyl}propanoate
4275-2005 Screening compound: ethyl 3-{[2-(4-ethoxy-4-oxo-N-phenylbutanamido)ethyl](phenyl)carbamoyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4275-2005
ethyl 3-{[2-(4-ethoxy-4-oxo-N-phenylbutanamido)ethyl](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

4275-2005

Molecular Formula

C26H32N2O6 (C26 H32 N2 O6)

Compound Name

ethyl 3-{[2-(4-ethoxy-4-oxo-N-phenylbutanamido)ethyl](phenyl)carbamoyl}propanoate

IUPAC name

ethyl 3-{[2-(4-ethoxy-4-oxo-N-phenylbutanamido)ethyl](phenyl)carbamoyl}propanoate

SMILES

CCOC(CCC(N(CCN(C(CCC(OCC)=O)=O)c1ccccc1)c1ccccc1)=O)=O

InChI

InChI=1S/C26H32N2O6/c1-3-33-25(31)17-15-23(29)27(21-11-7-5-8-12-21)19-20-28(22-13-9-6-10-14-22)24(30)16-18-26(32)34-4-2/h5-14H,3-4,15-20H2,1-2H3

InChI Key

CABAQZWAZHBNOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02655665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

17.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.800

Distribution Coefficient, logD

3.800

Water Solubility, LogSw

-3.80

Polar Surface Area

70.975

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

4275-2005 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4275-2005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4275-2005?
Check Price and Availability of 4275-2005, 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 4275-2005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4275-2005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4275-2005
  • 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 4275-2005 available by request