V004-5305 Screening compound: N-benzyl-5-({[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide

V004-5305 Screening compound: N-benzyl-5-({[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide
V004-5305 Screening compound: N-benzyl-5-({[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-5305
N-benzyl-5-({[2-cyclopentanecarbonyl-1-(4-methylphenyl)-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

V004-5305

Molecular Formula

C35H36N2O4 (C35 H36 N2 O4)

Compound Name

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

IUPAC name

N-benzyl-5-({[2-cyclopentanecarbonyl-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide

SMILES

Cc1ccc(C(c2c(CC3)ccc(OCc4ccc(C(NCc5ccccc5)=O)o4)c2)N3C(C2CCCC2)=O)cc1

InChI

InChI=1S/C35H36N2O4/c1-24-11-13-27(14-12-24)33-31-21-29(16-15-26(31)19-20-37(33)35(39)28-9-5-6-10-28)40-23-30-17-18-32(41-30)34(38)36-22-25-7-3-2-4-8-25/h2-4,7-8,11-18,21,28,33H,5-6,9-10,19-20,22-23H2,1H3,(H,36,38)/t33-/m0/s1

InChI Key

UNKYSAYCMYKKEW-XIFFEERXSA-N

MDL Number (MFCD)

MFCD19917607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.098

Distribution Coefficient, logD

7.098

Water Solubility, LogSw

-5.59

Polar Surface Area

55.902

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.40

V004-5305 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V004-5305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-5305?
Check Price and Availability of V004-5305, 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 V004-5305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-5305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-5305
  • 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 V004-5305 available by request