G500-0594 Screening compound: 2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl}benzamide

G500-0594 Screening compound: 2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl}benzamide
G500-0594 Screening compound: 2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G500-0594
2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl}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

G500-0594

Molecular Formula

C27H30ClFN4O (C27 H30 ClFN4 O)

Compound Name

2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl}benzamide

IUPAC name

2-chloro-N-{2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl}benzamide

SMILES

CN(C)c1ccc(C(CNC(c(cccc2)c2Cl)=O)N(CC2)CCN2c(cc2)ccc2F)cc1

InChI

InChI=1S/C27H30ClFN4O/c1-31(2)22-11-7-20(8-12-22)26(19-30-27(34)24-5-3-4-6-25(24)28)33-17-15-32(16-18-33)23-13-9-21(29)10-14-23/h3-14,26H,15-19H2,1-2H3,(H,30,34)/t26-/m0/s1

InChI Key

NTHHROJXUDNFHL-SANMLTNESA-N

MDL Number (MFCD)

MFCD08005385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.01

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.148

Distribution Coefficient, logD

5.145

Water Solubility, LogSw

-5.41

Polar Surface Area

33.706

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

8.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

G500-0594 in Drug Discovery

Included in Screening Libraries

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 G500-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G500-0594?
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What is the minimum amount of G500-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G500-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G500-0594
  • 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 G500-0594 available by request