V008-5312 Screening compound: methyl 4-({2-[4-(3-chloro-2-fluorobenzenesulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzoate

V008-5312 Screening compound: methyl 4-({2-[4-(3-chloro-2-fluorobenzenesulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzoate
V008-5312 Screening compound: methyl 4-({2-[4-(3-chloro-2-fluorobenzenesulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-5312
methyl 4-({2-[4-(3-chloro-2-fluorobenzenesulfonyl)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

V008-5312

Molecular Formula

C28H30ClFN2O6S (C28 H30 ClFN2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1ccc(COC(CN(CC2)CCN2S(c2cccc(Cl)c2F)(=O)=O)c2cc(OC)ccc2)cc1)=O

InChI

InChI=1S/C28H30ClFN2O6S/c1-36-23-6-3-5-22(17-23)25(38-19-20-9-11-21(12-10-20)28(33)37-2)18-31-13-15-32(16-14-31)39(34,35)26-8-4-7-24(29)27(26)30/h3-12,17,25H,13-16,18-19H2,1-2H3/t25-/m0/s1

InChI Key

LNEVKBZNQGLNOO-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19961593

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

577.07

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.884

Distribution Coefficient, logD

4.883

Water Solubility, LogSw

-5.04

Polar Surface Area

71.088

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.14

V008-5312 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 V008-5312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-5312?
Check Price and Availability of V008-5312, 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 V008-5312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-5312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-5312
  • 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 V008-5312 available by request