Y041-2079 Screening compound: 3-methyl-2-{2-[2-({4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamido]acetamido}butanoic acid

Y041-2079 Screening compound: 3-methyl-2-{2-[2-({4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamido]acetamido}butanoic acid
Y041-2079 Screening compound: 3-methyl-2-{2-[2-({4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamido]acetamido}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2079
3-methyl-2-{2-[2-({4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamido]acetamido}butanoic 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

Y041-2079

Molecular Formula

C24H30N2O8 (C24 H30 N2 O8)

Compound Name

3-methyl-2-{2-[2-({4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamido]acetamido}butanoic acid

IUPAC name

(2R)-3-methyl-2-{2-[2-({488-trimethyl-2-oxo-2H8H9H10H-pyrano[23-h]chromen-5-yl}oxy)acetamido]acetamido}butanoic acid

SMILES

CC(C)C(C(O)=O)NC(CNC(COc1cc(OC(C)(C)CC2)c2c(O2)c1C(C)=CC2=O)=O)=O

InChI

InChI=1S/C24H30N2O8/c1-12(2)21(23(30)31)26-17(27)10-25-18(28)11-32-16-9-15-14(6-7-24(4,5)34-15)22-20(16)13(3)8-19(29)33-22/h8-9,12,21H,6-7,10-11H2,1-5H3,(H,25,28)(H,26,27)(H,30,31)/t21-/m0/s1

InChI Key

YPKACPZKZPTAFQ-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.405

Distribution Coefficient, logD

-2.224

Water Solubility, LogSw

-1.83

Polar Surface Area

110.952

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y041-2079 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-2079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2079?
Check Price and Availability of Y041-2079, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-2079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2079
  • 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 Y041-2079 available by request