V002-1599 Screening compound: 4-[(2-{4-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy)methyl]benzonitrile

V002-1599 Screening compound: 4-[(2-{4-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy)methyl]benzonitrile
V002-1599 Screening compound: 4-[(2-{4-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1599
4-[(2-{4-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy)methyl]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

V002-1599

Molecular Formula

C26H31N5O4S (C26 H31 N5 O4 S)

Compound Name

4-[(2-{4-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy)methyl]benzonitrile

IUPAC name

4-[(2-{4-[(12-dimethyl-1H-imidazol-4-yl)sulfonyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy)methyl]benzonitrile

SMILES

Cc1nc(S(N2CCN(CC(c3cc(OC)ccc3)OCc(cc3)ccc3C#N)CC2)(=O)=O)cn1C

InChI

InChI=1S/C26H31N5O4S/c1-20-28-26(18-29(20)2)36(32,33)31-13-11-30(12-14-31)17-25(23-5-4-6-24(15-23)34-3)35-19-22-9-7-21(16-27)8-10-22/h4-10,15,18,25H,11-14,17,19H2,1-3H3/t25-/m0/s1

InChI Key

QRFYUHXQLQXCFE-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19961392

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

509.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.331

Distribution Coefficient, logD

2.330

Water Solubility, LogSw

-2.62

Polar Surface Area

79.320

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

V002-1599 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 V002-1599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1599?
Check Price and Availability of V002-1599, 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 V002-1599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1599
  • 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 V002-1599 available by request