V016-9159 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methylpiperazin-1-yl)ethan-1-one

V016-9159 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methylpiperazin-1-yl)ethan-1-one
V016-9159 Screening compound: 1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-9159
1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methylpiperazin-1-yl)ethan-1-one

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

V016-9159

Molecular Formula

C23H25FN4O3 (C23 H25 FN4 O3)

Compound Name

1-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-methylpiperazin-1-yl)ethan-1-one

IUPAC name

1-[5-(2H-13-benzodioxol-5-yl)-3-(4-fluorophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-(4-methylpiperazin-1-yl)ethan-1-one

SMILES

CN1CCN(CC(N(C(C2)c(cc3)cc4c3OCO4)N=C2c(cc2)ccc2F)=O)CC1

InChI

InChI=1S/C23H25FN4O3/c1-26-8-10-27(11-9-26)14-23(29)28-20(17-4-7-21-22(12-17)31-15-30-21)13-19(25-28)16-2-5-18(24)6-3-16/h2-7,12,20H,8-11,13-15H2,1H3/t20-/m1/s1

InChI Key

MILYDSHIEYLZSF-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD19885744

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.822

Distribution Coefficient, logD

2.153

Water Solubility, LogSw

-3.11

Polar Surface Area

51.183

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

V016-9159 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V016-9159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-9159?
Check Price and Availability of V016-9159, 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 V016-9159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-9159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-9159
  • 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 V016-9159 available by request