Y040-8814 Screening compound: 4-(methylsulfanyl)-2-[2-(9-oxo-9,10-dihydroacridin-10-yl)acetamido]butanoic acid

Y040-8814 Screening compound: 4-(methylsulfanyl)-2-[2-(9-oxo-9,10-dihydroacridin-10-yl)acetamido]butanoic acid
Y040-8814 Screening compound: 4-(methylsulfanyl)-2-[2-(9-oxo-9,10-dihydroacridin-10-yl)acetamido]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8814
4-(methylsulfanyl)-2-[2-(9-oxo-9,10-dihydroacridin-10-yl)acetamido]butanoic acid

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

Y040-8814

Molecular Formula

C20H20N2O4S (C20 H20 N2 O4 S)

Compound Name

4-(methylsulfanyl)-2-[2-(9-oxo-9,10-dihydroacridin-10-yl)acetamido]butanoic acid

IUPAC name

(2S)-4-(methylsulfanyl)-2-[2-(9-oxo-910-dihydroacridin-10-yl)acetamido]butanoic acid

SMILES

CSCCC(C(O)=O)NC(CN(c1c2cccc1)c(cccc1)c1C2=O)=O

InChI

InChI=1S/C20H20N2O4S/c1-27-11-10-15(20(25)26)21-18(23)12-22-16-8-4-2-6-13(16)19(24)14-7-3-5-9-17(14)22/h2-9,15H,10-12H2,1H3,(H,21,23)(H,25,26)/t15-/m0/s1

InChI Key

PEHQTZFKWQOSBQ-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.549

Distribution Coefficient, logD

-2.111

Water Solubility, LogSw

-2.62

Polar Surface Area

67.213

Acid Dissociation Constant (pKa)

3.74

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y040-8814 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

DGK Inhibitors Library (10558 compounds)

Nucleic Acid Ligands (8311 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with Y040-8814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8814?
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What is the minimum amount of Y040-8814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8814
  • 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 Y040-8814 available by request