E786-1367 Screening compound: ethyl 2,5-dimethyl-1-[(4-{[3-(methylsulfanyl)phenyl]carbamoyl}cyclohexyl)methyl]-1H-pyrrole-3-carboxylate

E786-1367 Screening compound: ethyl 2,5-dimethyl-1-[(4-{[3-(methylsulfanyl)phenyl]carbamoyl}cyclohexyl)methyl]-1H-pyrrole-3-carboxylate
E786-1367 Screening compound: ethyl 2,5-dimethyl-1-[(4-{[3-(methylsulfanyl)phenyl]carbamoyl}cyclohexyl)methyl]-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1367
ethyl 2,5-dimethyl-1-[(4-{[3-(methylsulfanyl)phenyl]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

E786-1367

Molecular Formula

C24H32N2O3S (C24 H32 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)n(CC(CC2)CCC2C(Nc2cccc(SC)c2)=O)c(C)c1)=O

InChI

InChI=1S/C24H32N2O3S/c1-5-29-24(28)22-13-16(2)26(17(22)3)15-18-9-11-19(12-10-18)23(27)25-20-7-6-8-21(14-20)30-4/h6-8,13-14,18-19H,5,9-12,15H2,1-4H3,(H,25,27)

InChI Key

ZHOYFUGVLGXCMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.211

Distribution Coefficient, logD

5.211

Water Solubility, LogSw

-5.05

Polar Surface Area

46.197

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E786-1367 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E786-1367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1367?
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What is the minimum amount of E786-1367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1367
  • 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 E786-1367 available by request