E786-1352 Screening compound: ethyl 2,5-dimethyl-1-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-1H-pyrrole-3-carboxylate

E786-1352 Screening compound: ethyl 2,5-dimethyl-1-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-1H-pyrrole-3-carboxylate
E786-1352 Screening compound: ethyl 2,5-dimethyl-1-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1352
ethyl 2,5-dimethyl-1-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-1H-pyrrole-3-carboxylate

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

E786-1352

Molecular Formula

C25H34N2O3 (C25 H34 N2 O3)

Compound Name

ethyl 2,5-dimethyl-1-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 25-dimethyl-1-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(CC(CC2)CCC2C(NCCc2ccccc2)=O)c(C)c1)=O

InChI

InChI=1S/C25H34N2O3/c1-4-30-25(29)23-16-18(2)27(19(23)3)17-21-10-12-22(13-11-21)24(28)26-15-14-20-8-6-5-7-9-20/h5-9,16,21-22H,4,10-15,17H2,1-3H3,(H,26,28)

InChI Key

OAHSGUOBFSGSGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

4.612

Water Solubility, LogSw

-4.36

Polar Surface Area

47.361

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

E786-1352 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E786-1352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1352?
Check Price and Availability of E786-1352, 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 E786-1352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1352
  • 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 E786-1352 available by request