V018-5452 Screening compound: 2-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}methyl)-N-(3-fluorophenyl)-1,3-oxazole-4-carboxamide

V018-5452 Screening compound: 2-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}methyl)-N-(3-fluorophenyl)-1,3-oxazole-4-carboxamide
V018-5452 Screening compound: 2-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}methyl)-N-(3-fluorophenyl)-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5452
2-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}methyl)-N-(3-fluorophenyl)-1,3-oxazole-4-carboxamide

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

V018-5452

Molecular Formula

C22H22ClFN4O2 (C22 H22 ClFN4 O2)

Compound Name

2-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}methyl)-N-(3-fluorophenyl)-1,3-oxazole-4-carboxamide

IUPAC name

2-({4-[(3-chlorophenyl)methyl]piperazin-1-yl}methyl)-N-(3-fluorophenyl)-13-oxazole-4-carboxamide

SMILES

O=C(c1coc(CN2CCN(Cc3cccc(Cl)c3)CC2)n1)Nc1cc(F)ccc1

InChI

InChI=1S/C22H22ClFN4O2/c23-17-4-1-3-16(11-17)13-27-7-9-28(10-8-27)14-21-26-20(15-30-21)22(29)25-19-6-2-5-18(24)12-19/h1-6,11-12,15H,7-10,13-14H2,(H,25,29)

InChI Key

VHMREAUILAISQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19909689

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

3.327

Water Solubility, LogSw

-3.83

Polar Surface Area

49.009

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V018-5452 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Others

References: we are preparing a list of scientific research reports with V018-5452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5452?
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What is the minimum amount of V018-5452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5452
  • 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 V018-5452 available by request