8191-1226 Screening compound: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-2,5-dione

8191-1226 Screening compound: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-2,5-dione
8191-1226 Screening compound: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8191-1226
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-2,5-dione

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

8191-1226

Molecular Formula

C21H19ClF3N3O3 (C21 H19 ClF3 N3 O3)

Compound Name

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-2,5-dione

IUPAC name

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)Nc(cc2)ccc2N2CCOCC2)N1c(cc1)cc(C(F)(F)F)c1Cl

InChI

InChI=1S/C21H19ClF3N3O3/c22-17-6-5-15(11-16(17)21(23,24)25)28-19(29)12-18(20(28)30)26-13-1-3-14(4-2-13)27-7-9-31-10-8-27/h1-6,11,18,26H,7-10,12H2/t18-/m1/s1

InChI Key

RNZPBRAPVSWFHC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD04214784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.084

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-3.73

Polar Surface Area

50.948

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8191-1226 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8191-1226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8191-1226?
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What is the minimum amount of 8191-1226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8191-1226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8191-1226
  • 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 8191-1226 available by request