V005-9016 Screening compound: 3-[4-(3-cyanobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methylbenzene-1-sulfonamide

V005-9016 Screening compound: 3-[4-(3-cyanobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methylbenzene-1-sulfonamide
V005-9016 Screening compound: 3-[4-(3-cyanobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9016
3-[4-(3-cyanobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methylbenzene-1-sulfonamide

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

V005-9016

Molecular Formula

C30H34N4O6S (C30 H34 N4 O6 S)

Compound Name

3-[4-(3-cyanobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methylbenzene-1-sulfonamide

IUPAC name

3-[4-(3-cyanobenzoyl)piperazin-1-yl]-N-[2-(34-dimethoxyphenyl)ethyl]-4-methoxy-N-methylbenzene-1-sulfonamide

SMILES

CN(CCc(cc1)cc(OC)c1OC)S(c(cc1)cc(N(CC2)CCN2C(c2cc(C#N)ccc2)=O)c1OC)(=O)=O

InChI

InChI=1S/C30H34N4O6S/c1-32(13-12-22-8-10-28(39-3)29(19-22)40-4)41(36,37)25-9-11-27(38-2)26(20-25)33-14-16-34(17-15-33)30(35)24-7-5-6-23(18-24)21-31/h5-11,18-20H,12-17H2,1-4H3

InChI Key

VGHFVUNPRMQRPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950726

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

578.69

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

3.362

Water Solubility, LogSw

-3.85

Polar Surface Area

92.336

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V005-9016 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V005-9016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9016?
Check Price and Availability of V005-9016, 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 V005-9016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9016
  • 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 V005-9016 available by request