Y041-3549 Screening compound: 4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-1,2-dihydroisoquinolin-1-one

Y041-3549 Screening compound: 4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-1,2-dihydroisoquinolin-1-one
Y041-3549 Screening compound: 4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3549
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-1,2-dihydroisoquinolin-1-one

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

Y041-3549

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-1,2-dihydroisoquinolin-1-one

IUPAC name

4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-12-dihydroisoquinolin-1-one

SMILES

CC(C)CN(C=C(C(N(CC1)CCN1c1cc(OC)ccc1)=O)c1c2cccc1)C2=O

InChI

InChI=1S/C25H29N3O3/c1-18(2)16-28-17-23(21-9-4-5-10-22(21)24(28)29)25(30)27-13-11-26(12-14-27)19-7-6-8-20(15-19)31-3/h4-10,15,17-18H,11-14,16H2,1-3H3

InChI Key

AWBHEBONPSLIEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27961316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.434

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-3.83

Polar Surface Area

43.924

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with Y041-3549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3549?
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What is the minimum amount of Y041-3549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3549
  • 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 Y041-3549 available by request