Y041-1495 Screening compound: 6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 3-(1H-indol-3-yl)-2-(4-methylbenzenesulfonamido)propanoate

Y041-1495 Screening compound: 6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 3-(1H-indol-3-yl)-2-(4-methylbenzenesulfonamido)propanoate
Y041-1495 Screening compound: 6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 3-(1H-indol-3-yl)-2-(4-methylbenzenesulfonamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1495
6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 3-(1H-indol-3-yl)-2-(4-methylbenzenesulfonamido)propanoate

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

Y041-1495

Molecular Formula

C31H28N2O6S (C31 H28 N2 O6 S)

Compound Name

6-methyl-4-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl 3-(1H-indol-3-yl)-2-(4-methylbenzenesulfonamido)propanoate

IUPAC name

6-methyl-4-oxo-1H2H3H4H-cyclopenta[c]chromen-7-yl (2S)-3-(1H-indol-3-yl)-2-(4-methylbenzenesulfonamido)propanoate

SMILES

Cc(cc1)ccc1S(NC(Cc1c[nH]c2c1cccc2)C(Oc(cc1)c(C)c(O2)c1C(CCC1)=C1C2=O)=O)(=O)=O

InChI

InChI=1S/C31H28N2O6S/c1-18-10-12-21(13-11-18)40(36,37)33-27(16-20-17-32-26-9-4-3-6-22(20)26)31(35)38-28-15-14-24-23-7-5-8-25(23)30(34)39-29(24)19(28)2/h3-4,6,9-15,17,27,32-33H,5,7-8,16H2,1-2H3/t27-/m0/s1

InChI Key

WTTOTDBCLJBONA-MHZLTWQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.64

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.719

Distribution Coefficient, logD

5.719

Water Solubility, LogSw

-5.68

Polar Surface Area

93.068

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.60

Y041-1495 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Glucocorticoid receptors Library (4806 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with Y041-1495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1495?
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What is the minimum amount of Y041-1495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1495
  • 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 Y041-1495 available by request