Y044-4901 Screening compound: N-(3,4-dimethoxybenzyl)-3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)propanamide

Y044-4901 Screening compound: N-(3,4-dimethoxybenzyl)-3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)propanamide
Y044-4901 Screening compound: N-(3,4-dimethoxybenzyl)-3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-4901
N-(3,4-dimethoxybenzyl)-3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)propanamide

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

Y044-4901

Molecular Formula

C24H28N2O6 (C24 H28 N2 O6)

Compound Name

N-(3,4-dimethoxybenzyl)-3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)propanamide

IUPAC name

3-(78-dimethoxy-2-oxo-23-dihydro-1H-3-benzazepin-3-yl)-N-[(34-dimethoxyphenyl)methyl]propanamide

SMILES

COc(ccc(CNC(CCN(C=Cc(cc1OC)c(C2)cc1OC)C2=O)=O)c1)c1OC

InChI

InChI=1S/C24H28N2O6/c1-29-19-6-5-16(11-20(19)30-2)15-25-23(27)8-10-26-9-7-17-12-21(31-3)22(32-4)13-18(17)14-24(26)28/h5-7,9,11-13H,8,10,14-15H2,1-4H3,(H,25,27)

InChI Key

QFDIJQDMNLYOCS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.365

Distribution Coefficient, logD

1.365

Water Solubility, LogSw

-2.07

Polar Surface Area

71.262

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with Y044-4901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-4901?
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What is the minimum amount of Y044-4901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-4901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-4901
  • 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 Y044-4901 available by request