V004-7732 Screening compound: methyl 4-[(2-{4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy)methyl]benzoate

V004-7732 Screening compound: methyl 4-[(2-{4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy)methyl]benzoate
V004-7732 Screening compound: methyl 4-[(2-{4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-7732
methyl 4-[(2-{4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl}-1-(3-methoxyphenyl)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

V004-7732

Molecular Formula

C30H33FN2O5 (C30 H33 FN2 O5)

Compound Name

methyl 4-[(2-{4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy)methyl]benzoate

IUPAC name

methyl 4-[(2-{4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy)methyl]benzoate

SMILES

COC(c1ccc(COC(CN(CC2)CCN2C(Cc(cc2)ccc2F)=O)c2cc(OC)ccc2)cc1)=O

InChI

InChI=1S/C30H33FN2O5/c1-36-27-5-3-4-25(19-27)28(38-21-23-6-10-24(11-7-23)30(35)37-2)20-32-14-16-33(17-15-32)29(34)18-22-8-12-26(31)13-9-22/h3-13,19,28H,14-18,20-21H2,1-2H3/t28-/m0/s1

InChI Key

CKGOVLMPTUPNOI-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19954570

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

520.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.345

Distribution Coefficient, logD

4.342

Water Solubility, LogSw

-4.44

Polar Surface Area

55.498

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V004-7732 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V004-7732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-7732?
Check Price and Availability of V004-7732, 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 V004-7732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-7732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-7732
  • 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 V004-7732 available by request