V009-8122 Screening compound: (5Z)-5-{[1-(2,3-dimethylphenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl]methylidene}-3-{[4-(trifluoromethyl)phenyl]methyl}imidazolidine-2,4-dione

V009-8122 Screening compound: (5Z)-5-{[1-(2,3-dimethylphenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl]methylidene}-3-{[4-(trifluoromethyl)phenyl]methyl}imidazolidine-2,4-dione
V009-8122 Screening compound: (5Z)-5-{[1-(2,3-dimethylphenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl]methylidene}-3-{[4-(trifluoromethyl)phenyl]methyl}imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-8122
(5Z)-5-{[1-(2,3-dimethylphenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl]methylidene}-3-{[4-(trifluoromethyl)phenyl]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

V009-8122

Molecular Formula

C29H23F3N4O3 (C29 H23 F3 N4 O3)

Compound Name

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

IUPAC name

(5Z)-5-{[1-(23-dimethylphenyl)-5-hydroxy-3-phenyl-1H-pyrazol-4-yl]methylidene}-3-{[4-(trifluoromethyl)phenyl]methyl}imidazolidine-24-dione

SMILES

Cc1cccc(-n(c(O)c2/C=C(/C(N3Cc4ccc(C(F)(F)F)cc4)=O)\NC3=O)nc2-c2ccccc2)c1C

InChI

InChI=1S/C29H23F3N4O3/c1-17-7-6-10-24(18(17)2)36-26(37)22(25(34-36)20-8-4-3-5-9-20)15-23-27(38)35(28(39)33-23)16-19-11-13-21(14-12-19)29(30,31)32/h3-15,37H,16H2,1-2H3,(H,33,39)

InChI Key

OEMHYQAQSZEVLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19768698

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

532.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.005

Distribution Coefficient, logD

4.121

Water Solubility, LogSw

-5.52

Polar Surface Area

70.141

Acid Dissociation Constant (pKa)

5.52

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

V009-8122 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 V009-8122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-8122?
Check Price and Availability of V009-8122, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V009-8122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-8122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-8122
  • 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 V009-8122 available by request