Y040-8481 Screening compound: 3-{2-[2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]-3-phenylpropanamido}propanoic acid

Y040-8481 Screening compound: 3-{2-[2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]-3-phenylpropanamido}propanoic acid
Y040-8481 Screening compound: 3-{2-[2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]-3-phenylpropanamido}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8481
3-{2-[2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]-3-phenylpropanamido}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

Y040-8481

Molecular Formula

C27H28N2O7 (C27 H28 N2 O7)

Compound Name

3-{2-[2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]-3-phenylpropanamido}propanoic acid

IUPAC name

3-[(2S)-2-[2-({7-methyl-4-oxo-1H2H3H4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]-3-phenylpropanamido]propanoic acid

SMILES

Cc1cc(OC(C2=C3CCC2)=O)c3c(OCC(NC(Cc2ccccc2)C(NCCC(O)=O)=O)=O)c1

InChI

InChI=1S/C27H28N2O7/c1-16-12-21(25-18-8-5-9-19(18)27(34)36-22(25)13-16)35-15-23(30)29-20(14-17-6-3-2-4-7-17)26(33)28-11-10-24(31)32/h2-4,6-7,12-13,20H,5,8-11,14-15H2,1H3,(H,28,33)(H,29,30)(H,31,32)/t20-/m0/s1

InChI Key

JLNJISAVXHLNJO-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.925

Distribution Coefficient, logD

-0.770

Water Solubility, LogSw

-2.56

Polar Surface Area

105.773

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

Y040-8481 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 Y040-8481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8481?
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What is the minimum amount of Y040-8481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8481
  • 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 Y040-8481 available by request