V028-3747 Screening compound: N-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)-2-methylpropanamide

V028-3747 Screening compound: N-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)-2-methylpropanamide
V028-3747 Screening compound: N-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-3747
N-(1-{2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl}propyl)-2-methylpropanamide

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

V028-3747

Molecular Formula

C25H33FN2O3 (C25 H33 FN2 O3)

Compound Name

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

IUPAC name

N-(1-{2-[(4-fluorophenyl)methyl]-67-dimethoxy-1234-tetrahydroisoquinolin-1-yl}propyl)-2-methylpropanamide

SMILES

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

InChI

InChI=1S/C25H33FN2O3/c1-6-21(27-25(29)16(2)3)24-20-14-23(31-5)22(30-4)13-18(20)11-12-28(24)15-17-7-9-19(26)10-8-17/h7-10,13-14,16,21,24H,6,11-12,15H2,1-5H3,(H,27,29)

InChI Key

ATGNGHHMCJVJNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10460554

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.694

Distribution Coefficient, logD

3.406

Water Solubility, LogSw

-3.87

Polar Surface Area

42.959

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.00

V028-3747 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V028-3747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-3747?
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What is the minimum amount of V028-3747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-3747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-3747
  • 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 V028-3747 available by request