V022-6652 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-methylbenzamide

V022-6652 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-methylbenzamide
V022-6652 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-6652
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-methylbenzamide

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

V022-6652

Molecular Formula

C27H24FN3O5 (C27 H24 FN3 O5)

Compound Name

N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-methylbenzamide

IUPAC name

N-{2-[5-(2H-13-benzodioxol-5-yl)-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-methylbenzamide

SMILES

CN(CC(N(C(C1)c(cc2)cc3c2OCO3)N=C1c(cc1)ccc1OC)=O)C(c(cccc1)c1F)=O

InChI

InChI=1S/C27H24FN3O5/c1-30(27(33)20-5-3-4-6-21(20)28)15-26(32)31-23(18-9-12-24-25(13-18)36-16-35-24)14-22(29-31)17-7-10-19(34-2)11-8-17/h3-13,23H,14-16H2,1-2H3/t23-/m0/s1

InChI Key

JQSBDHVSAJEMBX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19800665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.179

Distribution Coefficient, logD

4.179

Water Solubility, LogSw

-4.37

Polar Surface Area

67.668

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

V022-6652 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 V022-6652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-6652?
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What is the minimum amount of V022-6652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-6652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-6652
  • 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 V022-6652 available by request