V004-4218 Screening compound: (5Z)-5-{[1-(2-chlorophenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl]methylidene}-3-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione

V004-4218 Screening compound: (5Z)-5-{[1-(2-chlorophenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl]methylidene}-3-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione
V004-4218 Screening compound: (5Z)-5-{[1-(2-chlorophenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl]methylidene}-3-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4218
(5Z)-5-{[1-(2-chlorophenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl]methylidene}-3-[(2-chlorophenyl)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

V004-4218

Molecular Formula

C26H18Cl2N4O3 (C26 H18 Cl2 N4 O3)

Compound Name

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

IUPAC name

(5Z)-5-{[1-(2-chlorophenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl]methylidene}-3-[(2-chlorophenyl)methyl]imidazolidine-24-dione

SMILES

Oc1c(/C=C(/C(N2Cc(cccc3)c3Cl)=O)\NC2=O)c(-c2ccccc2)nn1-c(cccc1)c1Cl

InChI

InChI=1S/C26H18Cl2N4O3/c27-19-11-5-4-10-17(19)15-31-25(34)21(29-26(31)35)14-18-23(16-8-2-1-3-9-16)30-32(24(18)33)22-13-7-6-12-20(22)28/h1-14,33H,15H2,(H,29,35)

InChI Key

RCUSPHWNLUQEIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19772418

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.138

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-5.21

Polar Surface Area

70.141

Acid Dissociation Constant (pKa)

4.56

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

V004-4218 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-4218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4218?
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What is the minimum amount of V004-4218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4218
  • 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 V004-4218 available by request