E786-1262 Screening compound: ethyl 1-[(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}cyclohexyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

E786-1262 Screening compound: ethyl 1-[(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}cyclohexyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
E786-1262 Screening compound: ethyl 1-[(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}cyclohexyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1262
ethyl 1-[(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}cyclohexyl)methyl]-2,5-dimethyl-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

E786-1262

Molecular Formula

C25H38N2O3 (C25 H38 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)n(CC(CC2)CCC2C(NCCC2=CCCCC2)=O)c(C)c1)=O

InChI

InChI=1S/C25H38N2O3/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/h8,16,21-22H,4-7,9-15,17H2,1-3H3,(H,26,28)

InChI Key

VVIAMHFKBGJXEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.59

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

4.983

Distribution Coefficient, logD

4.983

Water Solubility, LogSw

-4.48

Polar Surface Area

47.553

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.00

E786-1262 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E786-1262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1262?
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What is the minimum amount of E786-1262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1262
  • 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 E786-1262 available by request