Y040-8483 Screening compound: 3-{2-[2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]-4-(methylsulfanyl)butanamido}propanoic acid

Y040-8483 Screening compound: 3-{2-[2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]-4-(methylsulfanyl)butanamido}propanoic acid
Y040-8483 Screening compound: 3-{2-[2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]-4-(methylsulfanyl)butanamido}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8483
3-{2-[2-({7-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-9-yl}oxy)acetamido]-4-(methylsulfanyl)butanamido}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

Y040-8483

Molecular Formula

C23H28N2O7S (C23 H28 N2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(OCC(NC(CCSC)C(NCCC(O)=O)=O)=O)c(C(CCC2)=C2C(O2)=O)c2c1

InChI

InChI=1S/C23H28N2O7S/c1-13-10-17(21-14-4-3-5-15(14)23(30)32-18(21)11-13)31-12-19(26)25-16(7-9-33-2)22(29)24-8-6-20(27)28/h10-11,16H,3-9,12H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)/t16-/m0/s1

InChI Key

CGYCXCFUKKCBRG-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.436

Distribution Coefficient, logD

-1.259

Water Solubility, LogSw

-1.89

Polar Surface Area

106.045

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with Y040-8483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8483?
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What is the minimum amount of Y040-8483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8483
  • 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 Y040-8483 available by request