V025-0521 Screening compound: N-benzyl-2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-methylpropanamide

V025-0521 Screening compound: N-benzyl-2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-methylpropanamide
V025-0521 Screening compound: N-benzyl-2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-0521
N-benzyl-2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-methylpropanamide

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

V025-0521

Molecular Formula

C29H31FN2O3 (C29 H31 FN2 O3)

Compound Name

N-benzyl-2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-methylpropanamide

IUPAC name

N-benzyl-2-{[1-(3-fluorophenyl)-2-propanoyl-1234-tetrahydroisoquinolin-7-yl]oxy}-N-methylpropanamide

SMILES

CCC(N(CC1)C(c2cccc(F)c2)c2c1ccc(OC(C)C(N(C)Cc1ccccc1)=O)c2)=O

InChI

InChI=1S/C29H31FN2O3/c1-4-27(33)32-16-15-22-13-14-25(18-26(22)28(32)23-11-8-12-24(30)17-23)35-20(2)29(34)31(3)19-21-9-6-5-7-10-21/h5-14,17-18,20,28H,4,15-16,19H2,1-3H3

InChI Key

OFKOCGMHLZQCEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19917001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.487

Distribution Coefficient, logD

5.487

Water Solubility, LogSw

-5.38

Polar Surface Area

38.545

Acid Dissociation Constant (pKa)

21.71

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

V025-0521 in Drug Discovery

Included in Screening Libraries

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 V025-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-0521?
Check Price and Availability of V025-0521, 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 V025-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-0521
  • 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 V025-0521 available by request