V009-6675 Screening compound: 2-({4-[2-(3-methoxyphenyl)-2-[(4-methylphenyl)methoxy]ethyl]piperazin-1-yl}sulfonyl)benzonitrile

V009-6675 Screening compound: 2-({4-[2-(3-methoxyphenyl)-2-[(4-methylphenyl)methoxy]ethyl]piperazin-1-yl}sulfonyl)benzonitrile
V009-6675 Screening compound: 2-({4-[2-(3-methoxyphenyl)-2-[(4-methylphenyl)methoxy]ethyl]piperazin-1-yl}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-6675
2-({4-[2-(3-methoxyphenyl)-2-[(4-methylphenyl)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

V009-6675

Molecular Formula

C28H31N3O4S (C28 H31 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(COC(CN(CC2)CCN2S(c(cccc2)c2C#N)(=O)=O)c2cc(OC)ccc2)cc1

InChI

InChI=1S/C28H31N3O4S/c1-22-10-12-23(13-11-22)21-35-27(24-7-5-8-26(18-24)34-2)20-30-14-16-31(17-15-30)36(32,33)28-9-4-3-6-25(28)19-29/h3-13,18,27H,14-17,20-21H2,1-2H3/t27-/m0/s1

InChI Key

SSGLCYMXVSTRLY-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19961408

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.64

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

4.312

Distribution Coefficient, logD

4.311

Water Solubility, LogSw

-4.31

Polar Surface Area

66.970

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

V009-6675 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V009-6675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-6675?
Check Price and Availability of V009-6675, 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 V009-6675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-6675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-6675
  • 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 V009-6675 available by request