8019-1091 Screening compound: N-[4-acetyl-1-butyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]cyclohexanecarboxamide

8019-1091 Screening compound: N-[4-acetyl-1-butyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]cyclohexanecarboxamide
8019-1091 Screening compound: N-[4-acetyl-1-butyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1091
N-[4-acetyl-1-butyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]cyclohexanecarboxamide

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

8019-1091

Molecular Formula

C19H27F3N2O3 (C19 H27 F3 N2 O3)

Compound Name

N-[4-acetyl-1-butyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]cyclohexanecarboxamide

IUPAC name

N-[4-acetyl-1-butyl-5-methyl-2-oxo-3-(trifluoromethyl)-23-dihydro-1H-pyrrol-3-yl]cyclohexanecarboxamide

SMILES

CCCCN(C(C)=C(C1(C(F)(F)F)NC(C2CCCCC2)=O)C(C)=O)C1=O

InChI

InChI=1S/C19H27F3N2O3/c1-4-5-11-24-12(2)15(13(3)25)18(17(24)27,19(20,21)22)23-16(26)14-9-7-6-8-10-14/h14H,4-11H2,1-3H3,(H,23,26)/t18-/m0/s1

InChI Key

IOVPKFIHBBSUJA-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.396

Distribution Coefficient, logD

-0.191

Water Solubility, LogSw

-3.40

Polar Surface Area

55.242

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.70

References: we are preparing a list of scientific research reports with 8019-1091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1091?
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What is the minimum amount of 8019-1091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1091
  • 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 8019-1091 available by request