E002-1611 Screening compound: 3-(5-chloro-2-methoxyphenyl)-1-[(4-ethylphenyl)methyl]-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea

E002-1611 Screening compound: 3-(5-chloro-2-methoxyphenyl)-1-[(4-ethylphenyl)methyl]-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea
E002-1611 Screening compound: 3-(5-chloro-2-methoxyphenyl)-1-[(4-ethylphenyl)methyl]-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1611
3-(5-chloro-2-methoxyphenyl)-1-[(4-ethylphenyl)methyl]-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}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

E002-1611

Molecular Formula

C28H29ClN4O3 (C28 H29 ClN4 O3)

Compound Name

3-(5-chloro-2-methoxyphenyl)-1-[(4-ethylphenyl)methyl]-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea

IUPAC name

3-(5-chloro-2-methoxyphenyl)-1-[(4-ethylphenyl)methyl]-1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}urea

SMILES

CCc1ccc(CN(Cc2c[nH]nc2-c(cc2)ccc2OC)C(Nc(cc(cc2)Cl)c2OC)=O)cc1

InChI

InChI=1S/C28H29ClN4O3/c1-4-19-5-7-20(8-6-19)17-33(28(34)31-25-15-23(29)11-14-26(25)36-3)18-22-16-30-32-27(22)21-9-12-24(35-2)13-10-21/h5-16H,4,17-18H2,1-3H3,(H,30,32)(H,31,34)

InChI Key

ZPYJFKLPAAPSLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.02

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.298

Distribution Coefficient, logD

6.298

Water Solubility, LogSw

-6.25

Polar Surface Area

63.665

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E002-1611 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E002-1611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1611?
Check Price and Availability of E002-1611, 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 E002-1611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1611
  • 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 E002-1611 available by request