V028-8228 Screening compound: (5Z)-5-[(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione

V028-8228 Screening compound: (5Z)-5-[(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
V028-8228 Screening compound: (5Z)-5-[(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8228
(5Z)-5-[(5-hydroxy-1,3-dimethyl-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

V028-8228

Molecular Formula

C17H18N4O3 (C17 H18 N4 O3)

Compound Name

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

IUPAC name

(5Z)-5-[(5-hydroxy-13-dimethyl-1H-pyrazol-4-yl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-24-dione

SMILES

Cc1nn(C)c(O)c1/C=C(/C(N1Cc2cc(C)ccc2)=O)\NC1=O

InChI

InChI=1S/C17H18N4O3/c1-10-5-4-6-12(7-10)9-21-16(23)14(18-17(21)24)8-13-11(2)19-20(3)15(13)22/h4-8,22H,9H2,1-3H3,(H,18,24)/b14-8-

InChI Key

ZJXNHBSLONPUSU-ZSOIEALJSA-N

MDL Number (MFCD)

MFCD19771148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.642

Distribution Coefficient, logD

1.094

Water Solubility, LogSw

-2.03

Polar Surface Area

70.941

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

V028-8228 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 V028-8228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8228?
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What is the minimum amount of V028-8228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8228
  • 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 V028-8228 available by request