V009-8929 Screening compound: 4-{[(4Z)-4-{[1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl]methyl}benzonitrile

V009-8929 Screening compound: 4-{[(4Z)-4-{[1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl]methyl}benzonitrile
V009-8929 Screening compound: 4-{[(4Z)-4-{[1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-8929
4-{[(4Z)-4-{[1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl]methyl}benzonitrile

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

V009-8929

Molecular Formula

C22H16ClN5O3 (C22 H16 ClN5 O3)

Compound Name

4-{[(4Z)-4-{[1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-2,5-dioxoimidazolidin-1-yl]methyl}benzonitrile

IUPAC name

4-{[(4Z)-4-{[1-(3-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylidene}-25-dioxoimidazolidin-1-yl]methyl}benzonitrile

SMILES

Cc(c(/C=C(/C(N1Cc(cc2)ccc2C#N)=O)\NC1=O)c1O)nn1-c1cccc(Cl)c1

InChI

InChI=1S/C22H16ClN5O3/c1-13-18(20(29)28(26-13)17-4-2-3-16(23)9-17)10-19-21(30)27(22(31)25-19)12-15-7-5-14(11-24)6-8-15/h2-10,29H,12H2,1H3,(H,25,31)

InChI Key

IDBGELSBFLILEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19770619

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

433.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.080

Distribution Coefficient, logD

1.824

Water Solubility, LogSw

-3.52

Polar Surface Area

87.576

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with V009-8929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8929?
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What is the minimum amount of V009-8929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8929
  • 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 V009-8929 available by request