V003-4468 Screening compound: N-[2-(dimethylamino)ethyl]-5-({[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide

V003-4468 Screening compound: N-[2-(dimethylamino)ethyl]-5-({[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide
V003-4468 Screening compound: N-[2-(dimethylamino)ethyl]-5-({[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4468
N-[2-(dimethylamino)ethyl]-5-({[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide

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

V003-4468

Molecular Formula

C30H36FN3O4 (C30 H36 FN3 O4)

Compound Name

N-[2-(dimethylamino)ethyl]-5-({[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide

IUPAC name

N-[2-(dimethylamino)ethyl]-5-({[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide

SMILES

CC(C)CC(N(CC1)C(c(cc2)ccc2F)c2c1ccc(OCc1ccc(C(NCCN(C)C)=O)o1)c2)=O

InChI

InChI=1S/C30H36FN3O4/c1-20(2)17-28(35)34-15-13-21-7-10-24(18-26(21)29(34)22-5-8-23(31)9-6-22)37-19-25-11-12-27(38-25)30(36)32-14-16-33(3)4/h5-12,18,20,29H,13-17,19H2,1-4H3,(H,32,36)/t29-/m0/s1

InChI Key

RMGAIIRJOLDELW-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19917355

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

521.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.869

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-4.53

Polar Surface Area

59.066

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V003-4468 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V003-4468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4468?
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What is the minimum amount of V003-4468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4468
  • 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 V003-4468 available by request