8191-1031 Screening compound: 1-(2-methyl-5-nitrophenyl)-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-2,5-dione

8191-1031 Screening compound: 1-(2-methyl-5-nitrophenyl)-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-2,5-dione
8191-1031 Screening compound: 1-(2-methyl-5-nitrophenyl)-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8191-1031
1-(2-methyl-5-nitrophenyl)-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

8191-1031

Molecular Formula

C21H22N4O5 (C21 H22 N4 O5)

Compound Name

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

IUPAC name

1-(2-methyl-5-nitrophenyl)-3-{[4-(morpholin-4-yl)phenyl]amino}pyrrolidine-25-dione

SMILES

Cc(ccc([N+]([O-])=O)c1)c1N(C(CC1Nc(cc2)ccc2N2CCOCC2)=O)C1=O

InChI

InChI=1S/C21H22N4O5/c1-14-2-5-17(25(28)29)12-19(14)24-20(26)13-18(21(24)27)22-15-3-6-16(7-4-15)23-8-10-30-11-9-23/h2-7,12,18,22H,8-11,13H2,1H3/t18-/m1/s1

InChI Key

UPKRCPQJGUXDNC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02966177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.205

Distribution Coefficient, logD

2.205

Water Solubility, LogSw

-2.75

Polar Surface Area

84.029

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8191-1031 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • 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
Agro:
  • Agro
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 8191-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8191-1031?
Check Price and Availability of 8191-1031, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8191-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8191-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8191-1031
  • 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 8191-1031 available by request