V028-4780 Screening compound: 1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-(propan-2-yl)urea

V028-4780 Screening compound: 1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-(propan-2-yl)urea
V028-4780 Screening compound: 1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4780
1-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}ethyl)-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

V028-4780

Molecular Formula

C24H32FN3O3 (C24 H32 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C24H32FN3O3/c1-15(2)26-24(29)27-16(3)23-20-13-22(31-5)21(30-4)12-18(20)10-11-28(23)14-17-6-8-19(25)9-7-17/h6-9,12-13,15-16,23H,10-11,14H2,1-5H3,(H2,26,27,29)

InChI Key

LVXWILFTEKBQII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19818131

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

429.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.153

Distribution Coefficient, logD

1.340

Water Solubility, LogSw

-3.40

Polar Surface Area

52.000

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

V028-4780 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 V028-4780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4780?
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What is the minimum amount of V028-4780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4780
  • 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 V028-4780 available by request