V024-0837 Screening compound: 5-({[2-(2-furylcarbonyl)-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-N-(4-pyridylmethyl)-2-furamide

V024-0837 Screening compound: 5-({[2-(2-furylcarbonyl)-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-N-(4-pyridylmethyl)-2-furamide
V024-0837 Screening compound: 5-({[2-(2-furylcarbonyl)-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-N-(4-pyridylmethyl)-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-0837
5-({[2-(2-furylcarbonyl)-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-N-(4-pyridylmethyl)-2-furamide

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

V024-0837

Molecular Formula

C32H27N3O5 (C32 H27 N3 O5)

Compound Name

5-({[2-(2-furylcarbonyl)-1-phenyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-N-(4-pyridylmethyl)-2-furamide

IUPAC name

5-({[2-(furan-2-carbonyl)-1-phenyl-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(pyridin-4-yl)methyl]furan-2-carboxamide

SMILES

O=C(c1ccc(COc2cc(C(c3ccccc3)N(CC3)C(c4ccco4)=O)c3cc2)o1)NCc1ccncc1

InChI

InChI=1S/C32H27N3O5/c36-31(34-20-22-12-15-33-16-13-22)28-11-10-26(40-28)21-39-25-9-8-23-14-17-35(32(37)29-7-4-18-38-29)30(27(23)19-25)24-5-2-1-3-6-24/h1-13,15-16,18-19,30H,14,17,20-21H2,(H,34,36)/t30-/m0/s1

InChI Key

HFNSIIWKPGPKSU-PMERELPUSA-N

MDL Number (MFCD)

MFCD19917401

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.536

Distribution Coefficient, logD

4.532

Water Solubility, LogSw

-4.27

Polar Surface Area

73.350

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.63

V024-0837 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V024-0837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-0837?
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What is the minimum amount of V024-0837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-0837
  • 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 V024-0837 available by request