V016-0046 Screening compound: (5Z)-5-({3-[(4-fluorophenyl)methyl]-5-hydroxy-1-(4-methoxyphenyl)-1H-pyrazol-4-yl}methylidene)-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione

V016-0046 Screening compound: (5Z)-5-({3-[(4-fluorophenyl)methyl]-5-hydroxy-1-(4-methoxyphenyl)-1H-pyrazol-4-yl}methylidene)-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
V016-0046 Screening compound: (5Z)-5-({3-[(4-fluorophenyl)methyl]-5-hydroxy-1-(4-methoxyphenyl)-1H-pyrazol-4-yl}methylidene)-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-0046
(5Z)-5-({3-[(4-fluorophenyl)methyl]-5-hydroxy-1-(4-methoxyphenyl)-1H-pyrazol-4-yl}methylidene)-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione

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

V016-0046

Molecular Formula

C29H25FN4O4 (C29 H25 FN4 O4)

Compound Name

(5Z)-5-({3-[(4-fluorophenyl)methyl]-5-hydroxy-1-(4-methoxyphenyl)-1H-pyrazol-4-yl}methylidene)-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione

IUPAC name

(5Z)-5-({3-[(4-fluorophenyl)methyl]-5-hydroxy-1-(4-methoxyphenyl)-1H-pyrazol-4-yl}methylidene)-3-[(3-methylphenyl)methyl]imidazolidine-24-dione

SMILES

Cc1cccc(CN(C(/C(/N2)=C/c(c(Cc(cc3)ccc3F)nn3-c(cc4)ccc4OC)c3O)=O)C2=O)c1

InChI

InChI=1S/C29H25FN4O4/c1-18-4-3-5-20(14-18)17-33-28(36)26(31-29(33)37)16-24-25(15-19-6-8-21(30)9-7-19)32-34(27(24)35)22-10-12-23(38-2)13-11-22/h3-14,16,35H,15,17H2,1-2H3,(H,31,37)

InChI Key

DTFHNGAFAHFKRF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.007

Distribution Coefficient, logD

3.689

Water Solubility, LogSw

-4.59

Polar Surface Area

78.481

Acid Dissociation Constant (pKa)

6.10

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

References: we are preparing a list of scientific research reports with V016-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-0046?
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What is the minimum amount of V016-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-0046
  • 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 V016-0046 available by request