6174-0278 Screening compound: ethyl (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

6174-0278 Screening compound: ethyl (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
6174-0278 Screening compound: ethyl (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6174-0278
ethyl (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-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

6174-0278

Molecular Formula

C22H21F3N2O3 (C22 H21 F3 N2 O3)

Compound Name

ethyl (5E)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

ethyl (5E)-5-({25-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-2-methyl-4-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CCOC(C(C1=O)=C(C)N/C1=C/c(cc1C)c(C)n1-c1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C22H21F3N2O3/c1-5-30-21(29)19-13(3)26-17(20(19)28)11-15-10-12(2)27(14(15)4)18-9-7-6-8-16(18)22(23,24)25/h6-11,26H,5H2,1-4H3

InChI Key

LGOJAESSCLSLCP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.415

Distribution Coefficient, logD

4.349

Water Solubility, LogSw

-4.34

Polar Surface Area

47.428

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 6174-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6174-0278?
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What is the minimum amount of 6174-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6174-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6174-0278
  • 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 6174-0278 available by request