V002-2047 Screening compound: 1-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine

V002-2047 Screening compound: 1-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine
V002-2047 Screening compound: 1-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-2047
1-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine

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

V002-2047

Molecular Formula

C27H28ClF3N2O4S (C27 H28 ClF3 N2 O4 S)

Compound Name

1-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine

IUPAC name

1-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine

SMILES

COc1cccc(COC(CN(CC2)CCN2S(c2c(C(F)(F)F)cccc2)(=O)=O)c(cc2)ccc2Cl)c1

InChI

InChI=1S/C27H28ClF3N2O4S/c1-36-23-6-4-5-20(17-23)19-37-25(21-9-11-22(28)12-10-21)18-32-13-15-33(16-14-32)38(34,35)26-8-3-2-7-24(26)27(29,30)31/h2-12,17,25H,13-16,18-19H2,1H3/t25-/m0/s1

InChI Key

PYQSXVUWXWSKEF-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19961365

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

569.04

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.602

Distribution Coefficient, logD

5.601

Water Solubility, LogSw

-6.16

Polar Surface Area

49.914

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V002-2047 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V002-2047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-2047?
Check Price and Availability of V002-2047, 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 V002-2047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-2047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-2047
  • 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 V002-2047 available by request