8191-1702 Screening compound: ethyl 4-(3-{[4-(morpholin-4-yl)phenyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

8191-1702 Screening compound: ethyl 4-(3-{[4-(morpholin-4-yl)phenyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate
8191-1702 Screening compound: ethyl 4-(3-{[4-(morpholin-4-yl)phenyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8191-1702
ethyl 4-(3-{[4-(morpholin-4-yl)phenyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

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

8191-1702

Molecular Formula

C23H25N3O5 (C23 H25 N3 O5)

Compound Name

ethyl 4-(3-{[4-(morpholin-4-yl)phenyl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

IUPAC name

ethyl 4-(3-{[4-(morpholin-4-yl)phenyl]amino}-25-dioxopyrrolidin-1-yl)benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC1Nc(cc2)ccc2N2CCOCC2)=O)C1=O)=O

InChI

InChI=1S/C23H25N3O5/c1-2-31-23(29)16-3-7-19(8-4-16)26-21(27)15-20(22(26)28)24-17-5-9-18(10-6-17)25-11-13-30-14-12-25/h3-10,20,24H,2,11-15H2,1H3/t20-/m0/s1

InChI Key

BOGNXPISMWXEIK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06421159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.243

Distribution Coefficient, logD

2.243

Water Solubility, LogSw

-2.64

Polar Surface Area

71.702

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

8191-1702 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

PI3K-Targeted Library (17255 compounds)

Antibacterial Compounds Library (13827 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with 8191-1702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8191-1702?
Check Price and Availability of 8191-1702, 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 8191-1702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8191-1702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8191-1702
  • 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 8191-1702 available by request