8019-1099 Screening compound: N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-2,4-dichlorobenzamide

8019-1099 Screening compound: N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-2,4-dichlorobenzamide
8019-1099 Screening compound: N-[4-acetyl-5-methyl-1-(4-methylphenyl)-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-2,4-dichlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1099
N-[4-acetyl-5-methyl-1-(4-methylphenyl)-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

8019-1099

Molecular Formula

C22H17Cl2F3N2O3 (C22 H17 Cl2 F3 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C(C(C(F)(F)F)(C1=O)NC(c(ccc(Cl)c2)c2Cl)=O)=C(C)N1c1ccc(C)cc1)=O

InChI

InChI=1S/C22H17Cl2F3N2O3/c1-11-4-7-15(8-5-11)29-12(2)18(13(3)30)21(20(29)32,22(25,26)27)28-19(31)16-9-6-14(23)10-17(16)24/h4-10H,1-3H3,(H,28,31)/t21-/m0/s1

InChI Key

LWGKHIWAVYXFLJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06177093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.646

Distribution Coefficient, logD

-2.893

Water Solubility, LogSw

-4.96

Polar Surface Area

54.188

Acid Dissociation Constant (pKa)

0.08

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

8019-1099 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 8019-1099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1099?
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What is the minimum amount of 8019-1099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1099
  • 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 8019-1099 available by request