E002-1614 Screening compound: ethyl 2-({[(4-ethylphenyl)methyl]({[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl})carbamoyl}amino)benzoate

E002-1614 Screening compound: ethyl 2-({[(4-ethylphenyl)methyl]({[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl})carbamoyl}amino)benzoate
E002-1614 Screening compound: ethyl 2-({[(4-ethylphenyl)methyl]({[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl})carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1614
ethyl 2-({[(4-ethylphenyl)methyl]({[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl})carbamoyl}amino)benzoate

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

E002-1614

Molecular Formula

C30H32N4O4 (C30 H32 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(CN(Cc2c[nH]nc2-c(cc2)ccc2OC)C(Nc(cccc2)c2C(OCC)=O)=O)cc1

InChI

InChI=1S/C30H32N4O4/c1-4-21-10-12-22(13-11-21)19-34(30(36)32-27-9-7-6-8-26(27)29(35)38-5-2)20-24-18-31-33-28(24)23-14-16-25(37-3)17-15-23/h6-18H,4-5,19-20H2,1-3H3,(H,31,33)(H,32,36)

InChI Key

UCUKPXPQWSHKCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.313

Distribution Coefficient, logD

6.313

Water Solubility, LogSw

-5.51

Polar Surface Area

76.788

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

E002-1614 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E002-1614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1614?
Check Price and Availability of E002-1614, 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 E002-1614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1614
  • 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 E002-1614 available by request