V013-5793 Screening compound: 3-(4-ethoxyphenyl)-1-{[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl}urea

V013-5793 Screening compound: 3-(4-ethoxyphenyl)-1-{[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl}urea
V013-5793 Screening compound: 3-(4-ethoxyphenyl)-1-{[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5793
3-(4-ethoxyphenyl)-1-{[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl}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

V013-5793

Molecular Formula

C27H27N3O3 (C27 H27 N3 O3)

Compound Name

3-(4-ethoxyphenyl)-1-{[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl}urea

IUPAC name

3-(4-ethoxyphenyl)-1-{[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl}urea

SMILES

CCOc(cc1)ccc1-c1ccc(CNC(Nc(cc2)ccc2OCC)=O)c2cnccc12

InChI

InChI=1S/C27H27N3O3/c1-3-32-22-10-5-19(6-11-22)24-14-7-20(26-18-28-16-15-25(24)26)17-29-27(31)30-21-8-12-23(13-9-21)33-4-2/h5-16,18H,3-4,17H2,1-2H3,(H2,29,30,31)

InChI Key

XQYWKEBUBGRMOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19842432

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.019

Distribution Coefficient, logD

6.019

Water Solubility, LogSw

-5.45

Polar Surface Area

57.085

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V013-5793 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V013-5793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5793?
Check Price and Availability of V013-5793, 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 V013-5793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5793
  • 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 V013-5793 available by request