Y044-0124 Screening compound: 3-{[3-oxo-3-(4-phenylpiperazino)propyl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

Y044-0124 Screening compound: 3-{[3-oxo-3-(4-phenylpiperazino)propyl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Y044-0124 Screening compound: 3-{[3-oxo-3-(4-phenylpiperazino)propyl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-0124
3-{[3-oxo-3-(4-phenylpiperazino)propyl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-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

Y044-0124

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

3-{[3-oxo-3-(4-phenylpiperazino)propyl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

IUPAC name

3-{[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]sulfanyl}-2345-tetrahydro-1H-1-benzazepin-2-one

SMILES

O=C(CCSC(CCc(cccc1)c1N1)C1=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C23H27N3O2S/c27-22(26-15-13-25(14-16-26)19-7-2-1-3-8-19)12-17-29-21-11-10-18-6-4-5-9-20(18)24-23(21)28/h1-9,21H,10-17H2,(H,24,28)/t21-/m0/s1

InChI Key

QBWIYHKRGBNTAD-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.27

Polar Surface Area

44.828

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

References: we are preparing a list of scientific research reports with Y044-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-0124?
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What is the minimum amount of Y044-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-0124
  • 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 Y044-0124 available by request