8017-8317 Screening compound: 4-(4-fluorobenzoyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-5-(2-pyridyl)-1,5-dihydro-2H-pyrrol-2-one

8017-8317 Screening compound: 4-(4-fluorobenzoyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-5-(2-pyridyl)-1,5-dihydro-2H-pyrrol-2-one
8017-8317 Screening compound: 4-(4-fluorobenzoyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-5-(2-pyridyl)-1,5-dihydro-2H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8317
4-(4-fluorobenzoyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-5-(2-pyridyl)-1,5-dihydro-2H-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

8017-8317

Molecular Formula

C21H17FN4O3 (C21 H17 FN4 O3)

Compound Name

4-(4-fluorobenzoyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-5-(2-pyridyl)-1,5-dihydro-2H-pyrrol-2-one

IUPAC name

4-(4-fluorobenzoyl)-3-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-5-(pyridin-2-yl)-25-dihydro-1H-pyrrol-2-one

SMILES

OC(C(N(CCc1c[nH]cn1)C1c2ncccc2)=O)=C1C(c(cc1)ccc1F)=O

InChI

InChI=1S/C21H17FN4O3/c22-14-6-4-13(5-7-14)19(27)17-18(16-3-1-2-9-24-16)26(21(29)20(17)28)10-8-15-11-23-12-25-15/h1-7,9,11-12,18,28H,8,10H2,(H,23,25)/t18-/m1/s1

InChI Key

KQJDYICZPVIYSL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06618555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.528

Distribution Coefficient, logD

1.524

Water Solubility, LogSw

-2.20

Polar Surface Area

75.647

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.29

8017-8317 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 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
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-8317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8317?
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What is the minimum amount of 8017-8317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8317
  • 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 8017-8317 available by request