V029-5758 Screening compound: 2-[(2-benzoyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-[(4-fluorophenyl)methyl]acetamide

V029-5758 Screening compound: 2-[(2-benzoyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-[(4-fluorophenyl)methyl]acetamide
V029-5758 Screening compound: 2-[(2-benzoyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-[(4-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5758
2-[(2-benzoyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-[(4-fluorophenyl)methyl]acetamide

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

V029-5758

Molecular Formula

C31H27FN2O3 (C31 H27 FN2 O3)

Compound Name

2-[(2-benzoyl-1-phenyl-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy]-N-[(4-fluorophenyl)methyl]acetamide

IUPAC name

2-[(2-benzoyl-1-phenyl-1234-tetrahydroisoquinolin-7-yl)oxy]-N-[(4-fluorophenyl)methyl]acetamide

SMILES

O=C(COc1cc(C(c2ccccc2)N(CC2)C(c3ccccc3)=O)c2cc1)NCc(cc1)ccc1F

InChI

InChI=1S/C31H27FN2O3/c32-26-14-11-22(12-15-26)20-33-29(35)21-37-27-16-13-23-17-18-34(31(36)25-9-5-2-6-10-25)30(28(23)19-27)24-7-3-1-4-8-24/h1-16,19,30H,17-18,20-21H2,(H,33,35)/t30-/m0/s1

InChI Key

XBMOOSKICNFHJN-PMERELPUSA-N

MDL Number (MFCD)

MFCD19916163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.57

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

5.485

Distribution Coefficient, logD

5.485

Water Solubility, LogSw

-5.85

Polar Surface Area

47.560

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.10

V029-5758 in Drug Discovery

Included in Screening Libraries

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

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 V029-5758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5758?
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What is the minimum amount of V029-5758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5758
  • 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 V029-5758 available by request