Y040-8026 Screening compound: 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate

Y040-8026 Screening compound: 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate
Y040-8026 Screening compound: 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8026
3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate

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

Y040-8026

Molecular Formula

C31H24FNO6S (C31 H24 FNO6 S)

Compound Name

3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl 2-(4-methylbenzenesulfonamido)-3-phenylpropanoate

IUPAC name

3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl (2S)-2-(4-methylbenzenesulfonamido)-3-phenylpropanoate

SMILES

Cc(cc1)ccc1S(NC(Cc1ccccc1)C(Oc(cc1)cc(OC=C2c(cc3)ccc3F)c1C2=O)=O)(=O)=O

InChI

InChI=1S/C31H24FNO6S/c1-20-7-14-25(15-8-20)40(36,37)33-28(17-21-5-3-2-4-6-21)31(35)39-24-13-16-26-29(18-24)38-19-27(30(26)34)22-9-11-23(32)12-10-22/h2-16,18-19,28,33H,17H2,1H3/t28-/m0/s1

InChI Key

OHCYELIZNLWDDJ-NDEPHWFRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.745

Distribution Coefficient, logD

5.744

Water Solubility, LogSw

-5.53

Polar Surface Area

82.840

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-8.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.70

Y040-8026 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-8026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8026?
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What is the minimum amount of Y040-8026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8026
  • 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 Y040-8026 available by request