Y041-2077 Screening compound: 3-(4-chlorophenyl)-2-[2-({4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamido]propanoic acid

Y041-2077 Screening compound: 3-(4-chlorophenyl)-2-[2-({4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamido]propanoic acid
Y041-2077 Screening compound: 3-(4-chlorophenyl)-2-[2-({4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2077
3-(4-chlorophenyl)-2-[2-({4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)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

Y041-2077

Molecular Formula

C26H26ClNO7 (C26 H26 ClNO7)

Compound Name

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

IUPAC name

3-(4-chlorophenyl)-2-[2-({488-trimethyl-2-oxo-2H8H9H10H-pyrano[23-h]chromen-5-yl}oxy)acetamido]propanoic acid

SMILES

CC1(C)Oc2cc(OCC(NC(Cc(cc3)ccc3Cl)C(O)=O)=O)c(C(C)=CC(O3)=O)c3c2CC1

InChI

InChI=1S/C26H26ClNO7/c1-14-10-22(30)34-24-17-8-9-26(2,3)35-19(17)12-20(23(14)24)33-13-21(29)28-18(25(31)32)11-15-4-6-16(27)7-5-15/h4-7,10,12,18H,8-9,11,13H2,1-3H3,(H,28,29)(H,31,32)/t18-/m0/s1

InChI Key

UTJDAYALMCIMIH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07637197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.95

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.305

Distribution Coefficient, logD

-0.286

Water Solubility, LogSw

-3.68

Polar Surface Area

86.487

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

Y041-2077 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-2077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2077?
Check Price and Availability of Y041-2077, 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 Y041-2077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2077
  • 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 Y041-2077 available by request