V012-0836 Screening compound: 1-{[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl}-3-(naphthalen-1-yl)urea

V012-0836 Screening compound: 1-{[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl}-3-(naphthalen-1-yl)urea
V012-0836 Screening compound: 1-{[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl}-3-(naphthalen-1-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0836
1-{[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl}-3-(naphthalen-1-yl)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

V012-0836

Molecular Formula

C28H23N3O2 (C28 H23 N3 O2)

Compound Name

1-{[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl}-3-(naphthalen-1-yl)urea

IUPAC name

1-{[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl}-3-(naphthalen-1-yl)urea

SMILES

COc1cccc(-c2ccc(CNC(Nc3cccc4ccccc34)=O)c3cnccc23)c1

InChI

InChI=1S/C28H23N3O2/c1-33-22-9-4-8-20(16-22)23-13-12-21(26-18-29-15-14-25(23)26)17-30-28(32)31-27-11-5-7-19-6-2-3-10-24(19)27/h2-16,18H,17H2,1H3,(H2,30,31,32)

InChI Key

UDZFUXFTWFZVPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19842448

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.851

Distribution Coefficient, logD

5.851

Water Solubility, LogSw

-6.60

Polar Surface Area

49.413

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

V012-0836 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V012-0836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0836?
Check Price and Availability of V012-0836, 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 V012-0836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0836
  • 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 V012-0836 available by request