E002-1617 Screening compound: ethyl 2-[4-({[(4-ethylphenyl)methyl]({[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl})carbamoyl}amino)phenyl]acetate

E002-1617 Screening compound: ethyl 2-[4-({[(4-ethylphenyl)methyl]({[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl})carbamoyl}amino)phenyl]acetate
E002-1617 Screening compound: ethyl 2-[4-({[(4-ethylphenyl)methyl]({[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl})carbamoyl}amino)phenyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1617
ethyl 2-[4-({[(4-ethylphenyl)methyl]({[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl})carbamoyl}amino)phenyl]acetate

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

E002-1617

Molecular Formula

C31H34N4O4 (C31 H34 N4 O4)

Compound Name

ethyl 2-[4-({[(4-ethylphenyl)methyl]({[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl})carbamoyl}amino)phenyl]acetate

IUPAC name

ethyl 2-[4-({[(4-ethylphenyl)methyl]({[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl})carbamoyl}amino)phenyl]acetate

SMILES

CCc1ccc(CN(Cc2c[nH]nc2-c(cc2)ccc2OC)C(Nc2ccc(CC(OCC)=O)cc2)=O)cc1

InChI

InChI=1S/C31H34N4O4/c1-4-22-6-8-24(9-7-22)20-35(21-26-19-32-34-30(26)25-12-16-28(38-3)17-13-25)31(37)33-27-14-10-23(11-15-27)18-29(36)39-5-2/h6-17,19H,4-5,18,20-21H2,1-3H3,(H,32,34)(H,33,37)

InChI Key

MDUAEGONRHQUOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.704

Distribution Coefficient, logD

5.704

Water Solubility, LogSw

-5.48

Polar Surface Area

76.891

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

E002-1617 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)

Antibacterial Compounds Library (13827 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
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E002-1617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1617?
Check Price and Availability of E002-1617, 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 E002-1617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1617
  • 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 E002-1617 available by request