V003-8502 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-{4-[4-(methoxycarbonyl)benzoyl]piperazin-1-yl}ethoxy]methyl}benzoate

V003-8502 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-{4-[4-(methoxycarbonyl)benzoyl]piperazin-1-yl}ethoxy]methyl}benzoate
V003-8502 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-{4-[4-(methoxycarbonyl)benzoyl]piperazin-1-yl}ethoxy]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-8502
methyl 4-{[1-(4-chlorophenyl)-2-{4-[4-(methoxycarbonyl)benzoyl]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

V003-8502

Molecular Formula

C30H31ClN2O6 (C30 H31 ClN2 O6)

Compound Name

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

IUPAC name

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

SMILES

COC(c1ccc(COC(CN(CC2)CCN2C(c(cc2)ccc2C(OC)=O)=O)c(cc2)ccc2Cl)cc1)=O

InChI

InChI=1S/C30H31ClN2O6/c1-37-29(35)24-5-3-21(4-6-24)20-39-27(22-11-13-26(31)14-12-22)19-32-15-17-33(18-16-32)28(34)23-7-9-25(10-8-23)30(36)38-2/h3-14,27H,15-20H2,1-2H3/t27-/m0/s1

InChI Key

MEOVWNJSHANSKO-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19954637

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

551.04

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.619

Distribution Coefficient, logD

4.617

Water Solubility, LogSw

-5.06

Polar Surface Area

69.655

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

V003-8502 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 V003-8502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-8502?
Check Price and Availability of V003-8502, 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 V003-8502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-8502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-8502
  • 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 V003-8502 available by request