E786-1456 Screening compound: ethyl 2,5-dimethyl-1-{[4-(phenylcarbamoyl)cyclohexyl]methyl}-1H-pyrrole-3-carboxylate

E786-1456 Screening compound: ethyl 2,5-dimethyl-1-{[4-(phenylcarbamoyl)cyclohexyl]methyl}-1H-pyrrole-3-carboxylate
E786-1456 Screening compound: ethyl 2,5-dimethyl-1-{[4-(phenylcarbamoyl)cyclohexyl]methyl}-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1456
ethyl 2,5-dimethyl-1-{[4-(phenylcarbamoyl)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

E786-1456

Molecular Formula

C23H30N2O3 (C23 H30 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)n(CC(CC2)CCC2C(Nc2ccccc2)=O)c(C)c1)=O

InChI

InChI=1S/C23H30N2O3/c1-4-28-23(27)21-14-16(2)25(17(21)3)15-18-10-12-19(13-11-18)22(26)24-20-8-6-5-7-9-20/h5-9,14,18-19H,4,10-13,15H2,1-3H3,(H,24,26)

InChI Key

IGXSCGTYFORTPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.5

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

4.558

Distribution Coefficient, logD

4.558

Water Solubility, LogSw

-4.30

Polar Surface Area

46.197

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

E786-1456 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E786-1456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1456?
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What is the minimum amount of E786-1456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1456
  • 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 E786-1456 available by request