V017-5731 Screening compound: 2-(3-methoxyphenyl)-6-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]quinoline

V017-5731 Screening compound: 2-(3-methoxyphenyl)-6-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]quinoline
V017-5731 Screening compound: 2-(3-methoxyphenyl)-6-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-5731
2-(3-methoxyphenyl)-6-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]quinoline

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

V017-5731

Molecular Formula

C28H26N4O4 (C28 H26 N4 O4)

Compound Name

2-(3-methoxyphenyl)-6-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]quinoline

IUPAC name

2-(3-methoxyphenyl)-6-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]quinoline

SMILES

Cc(cc1c(C(N(CC2)CCN2c(cc2)ccc2[N+]([O-])=O)=O)c2)ccc1nc2-c1cc(OC)ccc1

InChI

InChI=1S/C28H26N4O4/c1-19-6-11-26-24(16-19)25(18-27(29-26)20-4-3-5-23(17-20)36-2)28(33)31-14-12-30(13-15-31)21-7-9-22(10-8-21)32(34)35/h3-11,16-18H,12-15H2,1-2H3

InChI Key

MIEJWANBRVLLFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14240415

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.004

Distribution Coefficient, logD

5.970

Water Solubility, LogSw

-5.62

Polar Surface Area

69.132

Acid Dissociation Constant (pKa)

26.71

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

V017-5731 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V017-5731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-5731?
Check Price and Availability of V017-5731, 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 V017-5731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-5731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-5731
  • 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 V017-5731 available by request