V004-4607 Screening compound: [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl][4-(3-methyl-2-quinoxalinyl)piperazino]methanone

V004-4607 Screening compound: [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl][4-(3-methyl-2-quinoxalinyl)piperazino]methanone
V004-4607 Screening compound: [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl][4-(3-methyl-2-quinoxalinyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4607
[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl][4-(3-methyl-2-quinoxalinyl)piperazino]methanone

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

V004-4607

Molecular Formula

C24H21Cl2N5O2 (C24 H21 Cl2 N5 O2)

Compound Name

[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl][4-(3-methyl-2-quinoxalinyl)piperazino]methanone

IUPAC name

2-{4-[3-(26-dichlorophenyl)-5-methyl-12-oxazole-4-carbonyl]piperazin-1-yl}-3-methylquinoxaline

SMILES

Cc1c(C(N(CC2)CCN2c2nc3ccccc3nc2C)=O)c(-c(c(Cl)ccc2)c2Cl)no1

InChI

InChI=1S/C24H21Cl2N5O2/c1-14-23(28-19-9-4-3-8-18(19)27-14)30-10-12-31(13-11-30)24(32)20-15(2)33-29-22(20)21-16(25)6-5-7-17(21)26/h3-9H,10-13H2,1-2H3

InChI Key

DKIAMSLMIZXJOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19955901

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.621

Distribution Coefficient, logD

4.621

Water Solubility, LogSw

-4.86

Polar Surface Area

59.550

Acid Dissociation Constant (pKa)

24.30

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V004-4607 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V004-4607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4607?
Check Price and Availability of V004-4607, 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 V004-4607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4607
  • 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 V004-4607 available by request