V009-9942 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethoxy]methyl}benzoate

V009-9942 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethoxy]methyl}benzoate
V009-9942 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethoxy]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-9942
methyl 4-{[1-(4-chlorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethoxy]methyl}benzoate

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

V009-9942

Molecular Formula

C29H31ClN2O4 (C29 H31 ClN2 O4)

Compound Name

methyl 4-{[1-(4-chlorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethoxy]methyl}benzoate

IUPAC name

methyl 4-{[1-(4-chlorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethoxy]methyl}benzoate

SMILES

Cc(cc1)ccc1C(N1CCN(CC(c(cc2)ccc2Cl)OCc(cc2)ccc2C(OC)=O)CC1)=O

InChI

InChI=1S/C29H31ClN2O4/c1-21-3-7-24(8-4-21)28(33)32-17-15-31(16-18-32)19-27(23-11-13-26(30)14-12-23)36-20-22-5-9-25(10-6-22)29(34)35-2/h3-14,27H,15-20H2,1-2H3/t27-/m0/s1

InChI Key

QFHOFGLIAHCNNP-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19954552

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

507.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.952

Distribution Coefficient, logD

4.949

Water Solubility, LogSw

-5.23

Polar Surface Area

48.481

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.03

V009-9942 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 V009-9942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-9942?
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What is the minimum amount of V009-9942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-9942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-9942
  • 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 V009-9942 available by request