V024-2363 Screening compound: 1-{[5-(2-methylphenyl)isoquinolin-8-yl]methyl}-3-[4-(methylsulfanyl)phenyl]urea

V024-2363 Screening compound: 1-{[5-(2-methylphenyl)isoquinolin-8-yl]methyl}-3-[4-(methylsulfanyl)phenyl]urea
V024-2363 Screening compound: 1-{[5-(2-methylphenyl)isoquinolin-8-yl]methyl}-3-[4-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-2363
1-{[5-(2-methylphenyl)isoquinolin-8-yl]methyl}-3-[4-(methylsulfanyl)phenyl]urea

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

V024-2363

Molecular Formula

C25H23N3OS (C25 H23 N3 OS)

Compound Name

1-{[5-(2-methylphenyl)isoquinolin-8-yl]methyl}-3-[4-(methylsulfanyl)phenyl]urea

IUPAC name

1-{[5-(2-methylphenyl)isoquinolin-8-yl]methyl}-3-[4-(methylsulfanyl)phenyl]urea

SMILES

Cc(cccc1)c1-c1ccc(CNC(Nc(cc2)ccc2SC)=O)c2cnccc12

InChI

InChI=1S/C25H23N3OS/c1-17-5-3-4-6-21(17)22-12-7-18(24-16-26-14-13-23(22)24)15-27-25(29)28-19-8-10-20(30-2)11-9-19/h3-14,16H,15H2,1-2H3,(H2,27,28,29)

InChI Key

KYSUHMXLFMINJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19842470

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.108

Distribution Coefficient, logD

6.108

Water Solubility, LogSw

-5.39

Polar Surface Area

42.838

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

V024-2363 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V024-2363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-2363?
Check Price and Availability of V024-2363, 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 V024-2363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-2363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-2363
  • 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 V024-2363 available by request