Y041-1551 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoate

Y041-1551 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoate
Y041-1551 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1551
3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)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

Y041-1551

Molecular Formula

C37H32N2O6 (C37 H32 N2 O6)

Compound Name

3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoate

IUPAC name

3-benzyl-48-dimethyl-2-oxo-2H-chromen-7-yl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoate

SMILES

Cc(c(O1)c(cc2)C(C)=C(Cc3ccccc3)C1=O)c2OC(C(Cc1c[nH]c2c1cccc2)NC(OCc1ccccc1)=O)=O

InChI

InChI=1S/C37H32N2O6/c1-23-28-17-18-33(24(2)34(28)45-35(40)30(23)19-25-11-5-3-6-12-25)44-36(41)32(20-27-21-38-31-16-10-9-15-29(27)31)39-37(42)43-22-26-13-7-4-8-14-26/h3-18,21,32,38H,19-20,22H2,1-2H3,(H,39,42)/t32-/m0/s1

InChI Key

LNMBUJUJPICZGH-YTTGMZPUSA-N

MDL Number (MFCD)

MFCD05725532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

600.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.633

Distribution Coefficient, logD

7.633

Water Solubility, LogSw

-6.06

Polar Surface Area

83.408

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.20

Y041-1551 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-1551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1551?
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What is the minimum amount of Y041-1551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1551
  • 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 Y041-1551 available by request