V006-2685 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-(4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}piperazin-1-yl)ethoxy]methyl}benzoate

V006-2685 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-(4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}piperazin-1-yl)ethoxy]methyl}benzoate
V006-2685 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-(4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}piperazin-1-yl)ethoxy]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-2685
methyl 4-{[1-(4-chlorophenyl)-2-(4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}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

V006-2685

Molecular Formula

C31H34ClN3O6 (C31 H34 ClN3 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(N1CCN(CC(c(cc2)ccc2Cl)OCc(cc2)ccc2C(OC)=O)CC1)=O)=O

InChI

InChI=1S/C31H34ClN3O6/c1-3-40-30(37)25-10-14-27(15-11-25)33-31(38)35-18-16-34(17-19-35)20-28(23-8-12-26(32)13-9-23)41-21-22-4-6-24(7-5-22)29(36)39-2/h4-15,28H,3,16-21H2,1-2H3,(H,33,38)/t28-/m0/s1

InChI Key

RFNGDLKLIUEDIG-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19961447

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

580.08

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.490

Distribution Coefficient, logD

5.425

Water Solubility, LogSw

-6.21

Polar Surface Area

78.056

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

V006-2685 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with V006-2685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-2685?
Check Price and Availability of V006-2685, 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 V006-2685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-2685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-2685
  • 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 V006-2685 available by request