E786-1347 Screening compound: ethyl 2,5-dimethyl-1-({4-[(4-methylpyridin-2-yl)carbamoyl]cyclohexyl}methyl)-1H-pyrrole-3-carboxylate

E786-1347 Screening compound: ethyl 2,5-dimethyl-1-({4-[(4-methylpyridin-2-yl)carbamoyl]cyclohexyl}methyl)-1H-pyrrole-3-carboxylate
E786-1347 Screening compound: ethyl 2,5-dimethyl-1-({4-[(4-methylpyridin-2-yl)carbamoyl]cyclohexyl}methyl)-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1347
ethyl 2,5-dimethyl-1-({4-[(4-methylpyridin-2-yl)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

E786-1347

Molecular Formula

C23H31N3O3 (C23 H31 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)n(CC(CC2)CCC2C(Nc2nccc(C)c2)=O)c(C)c1)=O

InChI

InChI=1S/C23H31N3O3/c1-5-29-23(28)20-13-16(3)26(17(20)4)14-18-6-8-19(9-7-18)22(27)25-21-12-15(2)10-11-24-21/h10-13,18-19H,5-9,14H2,1-4H3,(H,24,25,27)

InChI Key

LZSIVQIMHBYQMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.411

Distribution Coefficient, logD

4.409

Water Solubility, LogSw

-4.24

Polar Surface Area

55.812

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

E786-1347 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E786-1347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1347?
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What is the minimum amount of E786-1347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1347
  • 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 E786-1347 available by request