E786-1417 Screening compound: ethyl 2,5-dimethyl-1-({4-[(4-methylphenyl)carbamoyl]cyclohexyl}methyl)-1H-pyrrole-3-carboxylate

E786-1417 Screening compound: ethyl 2,5-dimethyl-1-({4-[(4-methylphenyl)carbamoyl]cyclohexyl}methyl)-1H-pyrrole-3-carboxylate
E786-1417 Screening compound: ethyl 2,5-dimethyl-1-({4-[(4-methylphenyl)carbamoyl]cyclohexyl}methyl)-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1417
ethyl 2,5-dimethyl-1-({4-[(4-methylphenyl)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

E786-1417

Molecular Formula

C24H32N2O3 (C24 H32 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)n(CC(CC2)CCC2C(Nc2ccc(C)cc2)=O)c(C)c1)=O

InChI

InChI=1S/C24H32N2O3/c1-5-29-24(28)22-14-17(3)26(18(22)4)15-19-8-10-20(11-9-19)23(27)25-21-12-6-16(2)7-13-21/h6-7,12-14,19-20H,5,8-11,15H2,1-4H3,(H,25,27)

InChI Key

JBOIDOWIIYIMOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.173

Distribution Coefficient, logD

5.173

Water Solubility, LogSw

-4.96

Polar Surface Area

46.197

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E786-1417 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E786-1417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1417?
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What is the minimum amount of E786-1417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1417
  • 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 E786-1417 available by request