V028-4789 Screening compound: 1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)-3-(propan-2-yl)urea

V028-4789 Screening compound: 1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)-3-(propan-2-yl)urea
V028-4789 Screening compound: 1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4789
1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)-3-(propan-2-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

V028-4789

Molecular Formula

C25H34FN3O3 (C25 H34 FN3 O3)

Compound Name

1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)-3-(propan-2-yl)urea

IUPAC name

1-(1-{2-[(4-fluorophenyl)methyl]-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl}propyl)-3-(propan-2-yl)urea

SMILES

CCC(C1N(Cc(cc2)ccc2F)CCc(cc2OC)c1cc2OC)NC(NC(C)C)=O

InChI

InChI=1S/C25H34FN3O3/c1-6-21(28-25(30)27-16(2)3)24-20-14-23(32-5)22(31-4)13-18(20)11-12-29(24)15-17-7-9-19(26)10-8-17/h7-10,13-14,16,21,24H,6,11-12,15H2,1-5H3,(H2,27,28,30)

InChI Key

LBBNJWNVAZKHAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19823469

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

443.56

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

3.536

Distribution Coefficient, logD

1.769

Water Solubility, LogSw

-3.66

Polar Surface Area

52.467

Acid Dissociation Constant (pKa)

15.43

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.00

V028-4789 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V028-4789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4789?
Check Price and Availability of V028-4789, 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 V028-4789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4789
  • 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 V028-4789 available by request