Y040-4408 Screening compound: 2-(2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamido)-3-(1H-indol-3-yl)propanoic acid

Y040-4408 Screening compound: 2-(2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamido)-3-(1H-indol-3-yl)propanoic acid
Y040-4408 Screening compound: 2-(2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamido)-3-(1H-indol-3-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4408
2-(2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamido)-3-(1H-indol-3-yl)propanoic 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

Y040-4408

Molecular Formula

C26H22N2O6 (C26 H22 N2 O6)

Compound Name

2-(2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamido)-3-(1H-indol-3-yl)propanoic acid

IUPAC name

(2R)-2-(2-{35-dimethyl-7-oxo-7H-furo[32-g]chromen-6-yl}acetamido)-3-(1H-indol-3-yl)propanoic acid

SMILES

Cc(c1c2)coc1cc(O1)c2C(C)=C(CC(NC(Cc2c[nH]c3c2cccc3)C(O)=O)=O)C1=O

InChI

InChI=1S/C26H22N2O6/c1-13-12-33-22-10-23-18(8-17(13)22)14(2)19(26(32)34-23)9-24(29)28-21(25(30)31)7-15-11-27-20-6-4-3-5-16(15)20/h3-6,8,10-12,21,27H,7,9H2,1-2H3,(H,28,29)(H,30,31)/t21-/m0/s1

InChI Key

BJTZZEBZJSIVGA-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.776

Distribution Coefficient, logD

-0.815

Water Solubility, LogSw

-3.05

Polar Surface Area

92.829

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

Y040-4408 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Indole Derivatives (10091 compounds)

SmartTM Library (51161 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-4408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4408?
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What is the minimum amount of Y040-4408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4408
  • 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 Y040-4408 available by request