E786-1409 Screening compound: ethyl 2,5-dimethyl-1-[(4-{[4-(trifluoromethoxy)phenyl]carbamoyl}cyclohexyl)methyl]-1H-pyrrole-3-carboxylate

E786-1409 Screening compound: ethyl 2,5-dimethyl-1-[(4-{[4-(trifluoromethoxy)phenyl]carbamoyl}cyclohexyl)methyl]-1H-pyrrole-3-carboxylate
E786-1409 Screening compound: ethyl 2,5-dimethyl-1-[(4-{[4-(trifluoromethoxy)phenyl]carbamoyl}cyclohexyl)methyl]-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-1409
ethyl 2,5-dimethyl-1-[(4-{[4-(trifluoromethoxy)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

E786-1409

Molecular Formula

C24H29F3N2O4 (C24 H29 F3 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)n(CC(CC2)CCC2C(Nc(cc2)ccc2OC(F)(F)F)=O)c(C)c1)=O

InChI

InChI=1S/C24H29F3N2O4/c1-4-32-23(31)21-13-15(2)29(16(21)3)14-17-5-7-18(8-6-17)22(30)28-19-9-11-20(12-10-19)33-24(25,26)27/h9-13,17-18H,4-8,14H2,1-3H3,(H,28,30)

InChI Key

VKSXPEFLGWYGAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.941

Distribution Coefficient, logD

5.941

Water Solubility, LogSw

-5.55

Polar Surface Area

52.134

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E786-1409 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E786-1409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-1409?
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What is the minimum amount of E786-1409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-1409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-1409
  • 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 E786-1409 available by request