V022-7823 Screening compound: N~1~-(4-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}phenyl)-N~1~-(4-fluorobenzyl)-1-cyclopropanecarboxamide

V022-7823 Screening compound: N~1~-(4-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}phenyl)-N~1~-(4-fluorobenzyl)-1-cyclopropanecarboxamide
V022-7823 Screening compound: N~1~-(4-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}phenyl)-N~1~-(4-fluorobenzyl)-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-7823
N~1~-(4-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}phenyl)-N~1~-(4-fluorobenzyl)-1-cyclopropanecarboxamide

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

V022-7823

Molecular Formula

C28H27FN2O2 (C28 H27 FN2 O2)

Compound Name

N~1~-(4-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}phenyl)-N~1~-(4-fluorobenzyl)-1-cyclopropanecarboxamide

IUPAC name

n/a

SMILES

O=C(Cc(cc1)ccc1N(Cc(cc1)ccc1F)C(C1CC1)=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C28H27FN2O2/c29-25-11-5-21(6-12-25)18-31(28(33)23-9-10-23)26-13-7-20(8-14-26)17-27(32)30-16-15-22-3-1-2-4-24(22)19-30/h1-8,11-14,23H,9-10,15-19H2

InChI Key

ZCAGTNOSDSJHDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.168

Distribution Coefficient, logD

5.168

Water Solubility, LogSw

-5.25

Polar Surface Area

31.895

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V022-7823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-7823?
Check Price and Availability of V022-7823, 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 V022-7823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-7823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-7823
  • 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 V022-7823 available by request