V002-1839 Screening compound: methyl 4-{4-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazine-1-carbonyl}benzoate

V002-1839 Screening compound: methyl 4-{4-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazine-1-carbonyl}benzoate
V002-1839 Screening compound: methyl 4-{4-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazine-1-carbonyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1839
methyl 4-{4-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazine-1-carbonyl}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

V002-1839

Molecular Formula

C29H31ClN2O4 (C29 H31 ClN2 O4)

Compound Name

methyl 4-{4-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazine-1-carbonyl}benzoate

IUPAC name

methyl 4-{4-[2-(4-chlorophenyl)-2-[(3-methylphenyl)methoxy]ethyl]piperazine-1-carbonyl}benzoate

SMILES

Cc1cccc(COC(CN(CC2)CCN2C(c(cc2)ccc2C(OC)=O)=O)c(cc2)ccc2Cl)c1

InChI

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

InChI Key

MLPCNFMZXAENQJ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19954727

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

5.225

Distribution Coefficient, logD

5.222

Water Solubility, LogSw

-5.90

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

31.00

V002-1839 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 V002-1839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1839?
Check Price and Availability of V002-1839, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-1839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1839
  • 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 V002-1839 available by request