V002-4866 Screening compound: 2-methyl-3-(4-{[4-(tert-pentyl)phenyl]sulfonyl}piperazino)quinoxaline

V002-4866 Screening compound: 2-methyl-3-(4-{[4-(tert-pentyl)phenyl]sulfonyl}piperazino)quinoxaline
V002-4866 Screening compound: 2-methyl-3-(4-{[4-(tert-pentyl)phenyl]sulfonyl}piperazino)quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4866
2-methyl-3-(4-{[4-(tert-pentyl)phenyl]sulfonyl}piperazino)quinoxaline

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

V002-4866

Molecular Formula

C24H30N4O2S (C24 H30 N4 O2 S)

Compound Name

2-methyl-3-(4-{[4-(tert-pentyl)phenyl]sulfonyl}piperazino)quinoxaline

IUPAC name

2-methyl-3-{4-[4-(2-methylbutan-2-yl)benzenesulfonyl]piperazin-1-yl}quinoxaline

SMILES

CCC(C)(C)c(cc1)ccc1S(N(CC1)CCN1c1nc2ccccc2nc1C)(=O)=O

InChI

InChI=1S/C24H30N4O2S/c1-5-24(3,4)19-10-12-20(13-11-19)31(29,30)28-16-14-27(15-17-28)23-18(2)25-21-8-6-7-9-22(21)26-23/h6-13H,5,14-17H2,1-4H3

InChI Key

PLBKAAQAZMDYAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19980217

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

438.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.575

Distribution Coefficient, logD

5.574

Water Solubility, LogSw

-5.59

Polar Surface Area

52.653

Acid Dissociation Constant (pKa)

24.17

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

V002-4866 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V002-4866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4866?
Check Price and Availability of V002-4866, 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 V002-4866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4866
  • 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 V002-4866 available by request