F313-0446 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-({[4-(2-phenylethoxy)phenyl]carbamoyl}methoxy)acetamide

F313-0446 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-({[4-(2-phenylethoxy)phenyl]carbamoyl}methoxy)acetamide
F313-0446 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-({[4-(2-phenylethoxy)phenyl]carbamoyl}methoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F313-0446
N-[2-(4-chlorophenyl)ethyl]-2-({[4-(2-phenylethoxy)phenyl]carbamoyl}methoxy)acetamide

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

F313-0446

Molecular Formula

C26H27ClN2O4 (C26 H27 ClN2 O4)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-({[4-(2-phenylethoxy)phenyl]carbamoyl}methoxy)acetamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-({[4-(2-phenylethoxy)phenyl]carbamoyl}methoxy)acetamide

SMILES

O=C(COCC(Nc(cc1)ccc1OCCc1ccccc1)=O)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C26H27ClN2O4/c27-22-8-6-21(7-9-22)14-16-28-25(30)18-32-19-26(31)29-23-10-12-24(13-11-23)33-17-15-20-4-2-1-3-5-20/h1-13H,14-19H2,(H,28,30)(H,29,31)

InChI Key

KGMSEWBZBNONTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08678776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.242

Distribution Coefficient, logD

4.242

Water Solubility, LogSw

-4.53

Polar Surface Area

63.010

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

F313-0446 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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 F313-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F313-0446?
Check Price and Availability of F313-0446, 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 F313-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F313-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F313-0446
  • 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 F313-0446 available by request