8019-5459 Screening compound: 4-(5-chloro-1,3-benzoxazol-2-yl)-1-(4-fluorophenyl)-2-pyrrolidinone

8019-5459 Screening compound: 4-(5-chloro-1,3-benzoxazol-2-yl)-1-(4-fluorophenyl)-2-pyrrolidinone
8019-5459 Screening compound: 4-(5-chloro-1,3-benzoxazol-2-yl)-1-(4-fluorophenyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5459
4-(5-chloro-1,3-benzoxazol-2-yl)-1-(4-fluorophenyl)-2-pyrrolidinone

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

8019-5459

Molecular Formula

C17H12ClFN2O2 (C17 H12 ClFN2 O2)

Compound Name

4-(5-chloro-1,3-benzoxazol-2-yl)-1-(4-fluorophenyl)-2-pyrrolidinone

IUPAC name

4-(5-chloro-13-benzoxazol-2-yl)-1-(4-fluorophenyl)pyrrolidin-2-one

SMILES

O=C(CC(C1)c2nc(cc(cc3)Cl)c3o2)N1c(cc1)ccc1F

InChI

InChI=1S/C17H12ClFN2O2/c18-11-1-6-15-14(8-11)20-17(23-15)10-7-16(22)21(9-10)13-4-2-12(19)3-5-13/h1-6,8,10H,7,9H2/t10-/m0/s1

InChI Key

ISGOYOKRMVERCW-JTQLQIEISA-N

MDL Number (MFCD)

MFCD10038177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.945

Distribution Coefficient, logD

3.945

Water Solubility, LogSw

-4.25

Polar Surface Area

33.799

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.65

8019-5459 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-5459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5459?
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What is the minimum amount of 8019-5459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5459
  • 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 8019-5459 available by request