V028-7764 Screening compound: 2-chloro-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)benzamide

V028-7764 Screening compound: 2-chloro-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)benzamide
V028-7764 Screening compound: 2-chloro-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-7764
2-chloro-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)benzamide

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

V028-7764

Molecular Formula

C28H35ClFN5O (C28 H35 ClFN5 O)

Compound Name

2-chloro-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)benzamide

IUPAC name

2-chloro-N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methylpropyl)benzamide

SMILES

CCN(CC1)CCN1c1c(CN(CC(C)C)C(c(cccc2)c2Cl)=O)c(C)nn1-c1cc(F)ccc1

InChI

InChI=1S/C28H35ClFN5O/c1-5-32-13-15-33(16-14-32)27-25(21(4)31-35(27)23-10-8-9-22(30)17-23)19-34(18-20(2)3)28(36)24-11-6-7-12-26(24)29/h6-12,17,20H,5,13-16,18-19H2,1-4H3

InChI Key

GXHJUWQBMCWOJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19940400

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.07

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.271

Distribution Coefficient, logD

3.202

Water Solubility, LogSw

-5.63

Polar Surface Area

36.662

Acid Dissociation Constant (pKa)

23.61

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

V028-7764 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V028-7764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-7764?
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What is the minimum amount of V028-7764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-7764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-7764
  • 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 V028-7764 available by request