Y043-5660 Screening compound: 3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)-N~1~-(4-methoxyphenethyl)propanamide

Y043-5660 Screening compound: 3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)-N~1~-(4-methoxyphenethyl)propanamide
Y043-5660 Screening compound: 3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)-N~1~-(4-methoxyphenethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5660
3-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)-N~1~-(4-methoxyphenethyl)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

Y043-5660

Molecular Formula

C24H28N2O5 (C24 H28 N2 O5)

Compound Name

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

IUPAC name

3-(78-dimethoxy-2-oxo-23-dihydro-1H-3-benzazepin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide

SMILES

COc1ccc(CCNC(CCN(C=Cc(cc2OC)c(C3)cc2OC)C3=O)=O)cc1

InChI

InChI=1S/C24H28N2O5/c1-29-20-6-4-17(5-7-20)8-11-25-23(27)10-13-26-12-9-18-14-21(30-2)22(31-3)15-19(18)16-24(26)28/h4-7,9,12,14-15H,8,10-11,13,16H2,1-3H3,(H,25,27)

InChI Key

OKUDCTRHKQECHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29056341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.507

Distribution Coefficient, logD

1.507

Water Solubility, LogSw

-2.11

Polar Surface Area

63.386

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y043-5660 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-5660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5660?
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What is the minimum amount of Y043-5660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5660
  • 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 Y043-5660 available by request