8019-1094 Screening compound: N-[4-acetyl-1-butyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-2,4-dichlorobenzamide

8019-1094 Screening compound: N-[4-acetyl-1-butyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-2,4-dichlorobenzamide
8019-1094 Screening compound: N-[4-acetyl-1-butyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-2,4-dichlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1094
N-[4-acetyl-1-butyl-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-2,4-dichlorobenzamide

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

8019-1094

Molecular Formula

C19H19Cl2F3N2O3 (C19 H19 Cl2 F3 N2 O3)

Compound Name

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

IUPAC name

N-[4-acetyl-1-butyl-5-methyl-2-oxo-3-(trifluoromethyl)-23-dihydro-1H-pyrrol-3-yl]-24-dichlorobenzamide

SMILES

CCCCN(C(C)=C(C1(C(F)(F)F)NC(c(ccc(Cl)c2)c2Cl)=O)C(C)=O)C1=O

InChI

InChI=1S/C19H19Cl2F3N2O3/c1-4-5-8-26-10(2)15(11(3)27)18(17(26)29,19(22,23)24)25-16(28)13-7-6-12(20)9-14(13)21/h6-7,9H,4-5,8H2,1-3H3,(H,25,28)/t18-/m0/s1

InChI Key

HYLOCYGGGKJLNF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD06001893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.27

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

4.360

Distribution Coefficient, logD

-1.970

Water Solubility, LogSw

-4.62

Polar Surface Area

55.050

Acid Dissociation Constant (pKa)

1.07

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

8019-1094 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1094?
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What is the minimum amount of 8019-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1094
  • 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 8019-1094 available by request