Y041-2139 Screening compound: 2-(2-{3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamido)-3-(4-chlorophenyl)propanoic acid

Y041-2139 Screening compound: 2-(2-{3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamido)-3-(4-chlorophenyl)propanoic acid
Y041-2139 Screening compound: 2-(2-{3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamido)-3-(4-chlorophenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2139
2-(2-{3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamido)-3-(4-chlorophenyl)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

Y041-2139

Molecular Formula

C27H26ClNO6 (C27 H26 ClNO6)

Compound Name

2-(2-{3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamido)-3-(4-chlorophenyl)propanoic acid

IUPAC name

2-(2-{3-tert-butyl-5-methyl-7-oxo-7H-furo[32-g]chromen-6-yl}acetamido)-3-(4-chlorophenyl)propanoic acid

SMILES

CC(C)(C)c(c1c2)coc1cc(O1)c2C(C)=C(CC(NC(Cc(cc2)ccc2Cl)C(O)=O)=O)C1=O

InChI

InChI=1S/C27H26ClNO6/c1-14-17-10-19-20(27(2,3)4)13-34-22(19)12-23(17)35-26(33)18(14)11-24(30)29-21(25(31)32)9-15-5-7-16(28)8-6-15/h5-8,10,12-13,21H,9,11H2,1-4H3,(H,29,30)(H,31,32)/t21-/m0/s1

InChI Key

OFUVVQPMUPIKHX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05673463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.96

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.144

Distribution Coefficient, logD

0.553

Water Solubility, LogSw

-4.44

Polar Surface Area

82.958

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

Y041-2139 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

New Agro Library (44492 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
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-2139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2139?
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What is the minimum amount of Y041-2139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2139
  • 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 Y041-2139 available by request