Y040-8496 Screening compound: 4-{2-[2-({4-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]-4-(methylsulfanyl)butanamido}butanoic acid

Y040-8496 Screening compound: 4-{2-[2-({4-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]-4-(methylsulfanyl)butanamido}butanoic acid
Y040-8496 Screening compound: 4-{2-[2-({4-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]-4-(methylsulfanyl)butanamido}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8496
4-{2-[2-({4-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]-4-(methylsulfanyl)butanamido}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

Y040-8496

Molecular Formula

C25H32N2O7S (C25 H32 N2 O7 S)

Compound Name

4-{2-[2-({4-methyl-6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]-4-(methylsulfanyl)butanamido}butanoic acid

IUPAC name

4-[(2S)-2-[2-({4-methyl-6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)acetamido]-4-(methylsulfanyl)butanamido]butanoic acid

SMILES

Cc(c(O1)c(cc2)C(CCCC3)=C3C1=O)c2OCC(NC(CCSC)C(NCCCC(O)=O)=O)=O

InChI

InChI=1S/C25H32N2O7S/c1-15-20(10-9-17-16-6-3-4-7-18(16)25(32)34-23(15)17)33-14-21(28)27-19(11-13-35-2)24(31)26-12-5-8-22(29)30/h9-10,19H,3-8,11-14H2,1-2H3,(H,26,31)(H,27,28)(H,29,30)/t19-/m0/s1

InChI Key

KCQIVKQDDMAZTL-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.6

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.459

Distribution Coefficient, logD

-0.362

Water Solubility, LogSw

-3.02

Polar Surface Area

105.363

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

Y040-8496 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-8496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8496?
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What is the minimum amount of Y040-8496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8496
  • 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 Y040-8496 available by request