V003-7935 Screening compound: 2-{[2-(2,2-dimethylpropanoyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-propylpropanamide

V003-7935 Screening compound: 2-{[2-(2,2-dimethylpropanoyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-propylpropanamide
V003-7935 Screening compound: 2-{[2-(2,2-dimethylpropanoyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-propylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-7935
2-{[2-(2,2-dimethylpropanoyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-propylpropanamide

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

V003-7935

Molecular Formula

C26H34N2O3 (C26 H34 N2 O3)

Compound Name

2-{[2-(2,2-dimethylpropanoyl)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-propylpropanamide

IUPAC name

2-{[2-(22-dimethylpropanoyl)-1-phenyl-1234-tetrahydroisoquinolin-7-yl]oxy}-N-propylpropanamide

SMILES

CCCNC(C(C)Oc1cc(C(c2ccccc2)N(CC2)C(C(C)(C)C)=O)c2cc1)=O

InChI

InChI=1S/C26H34N2O3/c1-6-15-27-24(29)18(2)31-21-13-12-19-14-16-28(25(30)26(3,4)5)23(22(19)17-21)20-10-8-7-9-11-20/h7-13,17-18,23H,6,14-16H2,1-5H3,(H,27,29)

InChI Key

USUOWTNLDHOSHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.964

Distribution Coefficient, logD

4.964

Water Solubility, LogSw

-4.53

Polar Surface Area

47.448

Acid Dissociation Constant (pKa)

15.41

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

V003-7935 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V003-7935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-7935?
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What is the minimum amount of V003-7935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-7935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-7935
  • 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 V003-7935 available by request