V006-0657 Screening compound: 2-({4-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]piperazin-1-yl}sulfonyl)benzonitrile

V006-0657 Screening compound: 2-({4-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]piperazin-1-yl}sulfonyl)benzonitrile
V006-0657 Screening compound: 2-({4-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]piperazin-1-yl}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0657
2-({4-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]piperazin-1-yl}sulfonyl)benzonitrile

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

V006-0657

Molecular Formula

C27H28ClN3O4S (C27 H28 ClN3 O4 S)

Compound Name

2-({4-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]piperazin-1-yl}sulfonyl)benzonitrile

IUPAC name

2-({4-[2-(4-chlorophenyl)-2-[(3-methoxyphenyl)methoxy]ethyl]piperazin-1-yl}sulfonyl)benzonitrile

SMILES

COc1cccc(COC(CN(CC2)CCN2S(c(cccc2)c2C#N)(=O)=O)c(cc2)ccc2Cl)c1

InChI

InChI=1S/C27H28ClN3O4S/c1-34-25-7-4-5-21(17-25)20-35-26(22-9-11-24(28)12-10-22)19-30-13-15-31(16-14-30)36(32,33)27-8-3-2-6-23(27)18-29/h2-12,17,26H,13-16,19-20H2,1H3/t26-/m0/s1

InChI Key

UVDDDJWEEXBZKU-SANMLTNESA-N

MDL Number (MFCD)

MFCD19961368

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

526.06

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.486

Distribution Coefficient, logD

4.485

Water Solubility, LogSw

-4.78

Polar Surface Area

66.970

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

V006-0657 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 V006-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0657?
Check Price and Availability of V006-0657, 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 V006-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0657
  • 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 V006-0657 available by request