V027-4695 Screening compound: 2-{[(4Z)-4-({5-hydroxy-1-phenyl-3-[(thiophen-2-yl)methyl]-1H-pyrazol-4-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]methyl}benzonitrile

V027-4695 Screening compound: 2-{[(4Z)-4-({5-hydroxy-1-phenyl-3-[(thiophen-2-yl)methyl]-1H-pyrazol-4-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]methyl}benzonitrile
V027-4695 Screening compound: 2-{[(4Z)-4-({5-hydroxy-1-phenyl-3-[(thiophen-2-yl)methyl]-1H-pyrazol-4-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4695
2-{[(4Z)-4-({5-hydroxy-1-phenyl-3-[(thiophen-2-yl)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

V027-4695

Molecular Formula

C26H19N5O3S (C26 H19 N5 O3 S)

Compound Name

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

IUPAC name

2-{[(4Z)-4-({5-hydroxy-1-phenyl-3-[(thiophen-2-yl)methyl]-1H-pyrazol-4-yl}methylidene)-25-dioxoimidazolidin-1-yl]methyl}benzonitrile

SMILES

N#Cc1c(CN(C(/C(/N2)=C/c(c(Cc3cccs3)nn3-c4ccccc4)c3O)=O)C2=O)cccc1

InChI

InChI=1S/C26H19N5O3S/c27-15-17-7-4-5-8-18(17)16-30-25(33)23(28-26(30)34)14-21-22(13-20-11-6-12-35-20)29-31(24(21)32)19-9-2-1-3-10-19/h1-12,14,32H,13,16H2,(H,28,34)

InChI Key

ZQHOKSJRNXUVOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19770883

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

481.53

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

3.611

Distribution Coefficient, logD

2.440

Water Solubility, LogSw

-3.72

Polar Surface Area

89.012

Acid Dissociation Constant (pKa)

6.26

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

V027-4695 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 V027-4695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4695?
Check Price and Availability of V027-4695, 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 V027-4695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4695
  • 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 V027-4695 available by request