Y040-8833 Screening compound: 2-[(1E)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]-N-(1,3-thiazol-2-yl)acetamide

Y040-8833 Screening compound: 2-[(1E)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]-N-(1,3-thiazol-2-yl)acetamide
Y040-8833 Screening compound: 2-[(1E)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8833
2-[(1E)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]-N-(1,3-thiazol-2-yl)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

Y040-8833

Molecular Formula

C23H19FN2O2S2 (C23 H19 FN2 O2 S2)

Compound Name

2-[(1E)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-[(1E)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]-N-(13-thiazol-2-yl)acetamide

SMILES

CC1=C(CC(Nc2nccs2)=O)c(cc(cc2)F)c2/C1=C/c(cc1)ccc1S(C)=O

InChI

InChI=1S/C23H21FN2O2S2/c1-14-19(11-15-3-6-17(7-4-15)30(2)28)18-8-5-16(24)12-21(18)20(14)13-22(27)26-23-25-9-10-29-23/h3-12H,13,30H2,1-2H3,(H,25,26,27)

InChI Key

FZOPZKPHFAUOHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08747209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.109

Distribution Coefficient, logD

4.108

Water Solubility, LogSw

-4.34

Polar Surface Area

49.378

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

Y040-8833 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-8833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8833?
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What is the minimum amount of Y040-8833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8833
  • 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 Y040-8833 available by request