V004-2318 Screening compound: 5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)furan-2-carboxamide

V004-2318 Screening compound: 5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)furan-2-carboxamide
V004-2318 Screening compound: 5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2318
5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)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

V004-2318

Molecular Formula

C29H30N2O4 (C29 H30 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(c2c(CC3)ccc(OCc4ccc(C(NCC=C)=O)o4)c2)N3C(C2CC2)=O)cc1

InChI

InChI=1S/C29H30N2O4/c1-3-15-30-28(32)26-13-12-24(35-26)18-34-23-11-10-20-14-16-31(29(33)22-8-9-22)27(25(20)17-23)21-6-4-19(2)5-7-21/h3-7,10-13,17,22,27H,1,8-9,14-16,18H2,2H3,(H,30,32)/t27-/m0/s1

InChI Key

GLXRSEYGONZEOE-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19917963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

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

5.145

Distribution Coefficient, logD

5.145

Water Solubility, LogSw

-5.03

Polar Surface Area

55.980

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with V004-2318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2318?
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What is the minimum amount of V004-2318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2318
  • 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 V004-2318 available by request