V003-4408 Screening compound: N-benzyl-5-({[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide

V003-4408 Screening compound: N-benzyl-5-({[1-(4-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide
V003-4408 Screening compound: N-benzyl-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 V003-4408
N-benzyl-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

V003-4408

Molecular Formula

C33H33FN2O4 (C33 H33 FN2 O4)

Compound Name

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

IUPAC name

N-benzyl-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(NCc3ccccc3)=O)o1)c2)=O

InChI

InChI=1S/C33H33FN2O4/c1-22(2)18-31(37)36-17-16-24-10-13-27(19-29(24)32(36)25-8-11-26(34)12-9-25)39-21-28-14-15-30(40-28)33(38)35-20-23-6-4-3-5-7-23/h3-15,19,22,32H,16-18,20-21H2,1-2H3,(H,35,38)/t32-/m0/s1

InChI Key

ZJSTZYXBUYMTNL-YTTGMZPUSA-N

MDL Number (MFCD)

MFCD19917349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.534

Distribution Coefficient, logD

6.534

Water Solubility, LogSw

-5.70

Polar Surface Area

55.088

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

V003-4408 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V003-4408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4408?
Check Price and Availability of V003-4408, 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 V003-4408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4408
  • 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 V003-4408 available by request