Y041-2136 Screening compound: 3-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}propanoic acid

Y041-2136 Screening compound: 3-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}propanoic acid
Y041-2136 Screening compound: 3-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2136
3-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}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

Y041-2136

Molecular Formula

C23H18BrNO6 (C23 H18 BrNO6)

Compound Name

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

IUPAC name

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

SMILES

CC(c(c(O1)c2)cc3c2occ3-c(cc2)ccc2Br)=C(CC(NCCC(O)=O)=O)C1=O

InChI

InChI=1S/C23H18BrNO6/c1-12-15-8-17-18(13-2-4-14(24)5-3-13)11-30-19(17)10-20(15)31-23(29)16(12)9-21(26)25-7-6-22(27)28/h2-5,8,10-11H,6-7,9H2,1H3,(H,25,26)(H,27,28)

InChI Key

RYNKFJLWDAWYJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06493921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.242

Distribution Coefficient, logD

0.547

Water Solubility, LogSw

-3.44

Polar Surface Area

83.145

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

Y041-2136 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-2136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2136?
Check Price and Availability of Y041-2136, 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 Y041-2136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2136
  • 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 Y041-2136 available by request