Y501-9752 Screening compound: 2-({1-ethyl-4-[(E)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(1-naphthyl)acetamide

Y501-9752 Screening compound: 2-({1-ethyl-4-[(E)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(1-naphthyl)acetamide
Y501-9752 Screening compound: 2-({1-ethyl-4-[(E)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(1-naphthyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-9752
2-({1-ethyl-4-[(E)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(1-naphthyl)acetamide

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

Y501-9752

Molecular Formula

C23H23N5O2S (C23 H23 N5 O2 S)

Compound Name

2-({1-ethyl-4-[(E)-1-(1-ethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)-N-(1-naphthyl)acetamide

IUPAC name

2-{[(4E)-1-ethyl-4-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-5-oxo-45-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide

SMILES

CCn1ncc(/C=C(\C(N2CC)=O)/N=C2SCC(Nc2cccc3ccccc23)=O)c1

InChI

InChI=1S/C23H23N5O2S/c1-3-27-14-16(13-24-27)12-20-22(30)28(4-2)23(26-20)31-15-21(29)25-19-11-7-9-17-8-5-6-10-18(17)19/h5-14H,3-4,15H2,1-2H3,(H,25,29)

InChI Key

MGVKAIXLGGFPHY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.819

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.28

Polar Surface Area

62.639

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

References: we are preparing a list of scientific research reports with Y501-9752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-9752?
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What is the minimum amount of Y501-9752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-9752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-9752
  • 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 Y501-9752 available by request