V031-2796 Screening compound: N-(3-amino-2-cyclopropyl-1-oxo-4-phenyl-1,2-dihydroisoquinolin-7-yl)-3-fluorobenzamide

V031-2796 Screening compound: N-(3-amino-2-cyclopropyl-1-oxo-4-phenyl-1,2-dihydroisoquinolin-7-yl)-3-fluorobenzamide
V031-2796 Screening compound: N-(3-amino-2-cyclopropyl-1-oxo-4-phenyl-1,2-dihydroisoquinolin-7-yl)-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2796
N-(3-amino-2-cyclopropyl-1-oxo-4-phenyl-1,2-dihydroisoquinolin-7-yl)-3-fluorobenzamide

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

V031-2796

Molecular Formula

C25H20FN3O2 (C25 H20 FN3 O2)

Compound Name

N-(3-amino-2-cyclopropyl-1-oxo-4-phenyl-1,2-dihydroisoquinolin-7-yl)-3-fluorobenzamide

IUPAC name

N-(3-amino-2-cyclopropyl-1-oxo-4-phenyl-12-dihydroisoquinolin-7-yl)-3-fluorobenzamide

SMILES

NC(N1C2CC2)=C(c2ccccc2)c(ccc(NC(c2cccc(F)c2)=O)c2)c2C1=O

InChI

InChI=1S/C25H20FN3O2/c26-17-8-4-7-16(13-17)24(30)28-18-9-12-20-21(14-18)25(31)29(19-10-11-19)23(27)22(20)15-5-2-1-3-6-15/h1-9,12-14,19H,10-11,27H2,(H,28,30)

InChI Key

AMRDCUAYNYRFKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14523567

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.430

Distribution Coefficient, logD

4.423

Water Solubility, LogSw

-4.60

Polar Surface Area

58.510

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with V031-2796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2796?
Check Price and Availability of V031-2796, 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 V031-2796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2796
  • 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 V031-2796 available by request