E002-1557 Screening compound: ethyl 3-({[(4-ethylphenyl)methyl]({[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl})carbamoyl}amino)-3-phenylpropanoate

E002-1557 Screening compound: ethyl 3-({[(4-ethylphenyl)methyl]({[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl})carbamoyl}amino)-3-phenylpropanoate
E002-1557 Screening compound: ethyl 3-({[(4-ethylphenyl)methyl]({[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl})carbamoyl}amino)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1557
ethyl 3-({[(4-ethylphenyl)methyl]({[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl})carbamoyl}amino)-3-phenylpropanoate

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

E002-1557

Molecular Formula

C32H36N4O4 (C32 H36 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(CN(Cc2c[nH]nc2-c(cc2)ccc2OC)C(NC(CC(OCC)=O)c2ccccc2)=O)cc1

InChI

InChI=1S/C32H36N4O4/c1-4-23-11-13-24(14-12-23)21-36(22-27-20-33-35-31(27)26-15-17-28(39-3)18-16-26)32(38)34-29(19-30(37)40-5-2)25-9-7-6-8-10-25/h6-18,20,29H,4-5,19,21-22H2,1-3H3,(H,33,35)(H,34,38)/t29-/m0/s1

InChI Key

MLZNTFRPGZXBAD-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD14835356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.297

Distribution Coefficient, logD

6.297

Water Solubility, LogSw

-5.57

Polar Surface Area

77.844

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

E002-1557 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E002-1557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1557?
Check Price and Availability of E002-1557, 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 E002-1557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1557
  • 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 E002-1557 available by request