V018-6634 Screening compound: 1-(3-CHLORO-2-METHYLPHENYL)-4-(4-FLUOROBENZOYL)-3-METHYLPIPERAZIN-2-ONE

V018-6634 Screening compound: 1-(3-CHLORO-2-METHYLPHENYL)-4-(4-FLUOROBENZOYL)-3-METHYLPIPERAZIN-2-ONE
V018-6634 Screening compound: 1-(3-CHLORO-2-METHYLPHENYL)-4-(4-FLUOROBENZOYL)-3-METHYLPIPERAZIN-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-6634
1-(3-CHLORO-2-METHYLPHENYL)-4-(4-FLUOROBENZOYL)-3-METHYLPIPERAZIN-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

V018-6634

Molecular Formula

C19H18ClFN2O2 (C19 H18 ClFN2 O2)

Compound Name

1-(3-CHLORO-2-METHYLPHENYL)-4-(4-FLUOROBENZOYL)-3-METHYLPIPERAZIN-2-ONE

IUPAC name

1-(3-chloro-2-methylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one

SMILES

CC(C(N(CC1)c2cccc(Cl)c2C)=O)N1C(c(cc1)ccc1F)=O

InChI

InChI=1S/C19H18ClFN2O2/c1-12-16(20)4-3-5-17(12)23-11-10-22(13(2)18(23)24)19(25)14-6-8-15(21)9-7-14/h3-9,13H,10-11H2,1-2H3/t13-/m0/s1

InChI Key

WTRJZQVQIAHJQU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD19892246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.691

Distribution Coefficient, logD

3.691

Water Solubility, LogSw

-4.04

Polar Surface Area

31.675

Acid Dissociation Constant (pKa)

18.02

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

V018-6634 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-6634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-6634?
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What is the minimum amount of V018-6634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-6634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-6634
  • 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 V018-6634 available by request