8017-8318 Screening compound: 4-benzoyl-3-hydroxy-1-{3-[(2-hydroxyethyl)amino]propyl}-5-phenyl-2,5-dihydro-1H-pyrrol-2-one

8017-8318 Screening compound: 4-benzoyl-3-hydroxy-1-{3-[(2-hydroxyethyl)amino]propyl}-5-phenyl-2,5-dihydro-1H-pyrrol-2-one
8017-8318 Screening compound: 4-benzoyl-3-hydroxy-1-{3-[(2-hydroxyethyl)amino]propyl}-5-phenyl-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8318
4-benzoyl-3-hydroxy-1-{3-[(2-hydroxyethyl)amino]propyl}-5-phenyl-2,5-dihydro-1H-pyrrol-2-one

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

8017-8318

Molecular Formula

C22H24N2O4 (C22 H24 N2 O4)

Compound Name

4-benzoyl-3-hydroxy-1-{3-[(2-hydroxyethyl)amino]propyl}-5-phenyl-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-benzoyl-3-hydroxy-1-{3-[(2-hydroxyethyl)amino]propyl}-5-phenyl-25-dihydro-1H-pyrrol-2-one

SMILES

OCCNCCCN(C(C(C(c1ccccc1)=O)=C1O)c2ccccc2)C1=O

InChI

InChI=1S/C22H24N2O4/c25-15-13-23-12-7-14-24-19(16-8-3-1-4-9-16)18(21(27)22(24)28)20(26)17-10-5-2-6-11-17/h1-6,8-11,19,23,25,27H,7,12-15H2/t19-/m0/s1

InChI Key

AGDGUZBFINILBQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD06618556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.140

Distribution Coefficient, logD

-0.902

Water Solubility, LogSw

-1.77

Polar Surface Area

73.453

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

8017-8318 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8017-8318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8318?
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What is the minimum amount of 8017-8318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8318
  • 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 8017-8318 available by request