Y041-2134 Screening compound: 2-(2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}acetamido)-3-methylbutanoic acid

Y041-2134 Screening compound: 2-(2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}acetamido)-3-methylbutanoic acid
Y041-2134 Screening compound: 2-(2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}acetamido)-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2134
2-(2-{2-[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}acetamido)-3-methylbutanoic 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

Y041-2134

Molecular Formula

C27H25BrN2O7 (C27 H25 BrN2 O7)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(C(O)=O)NC(CNC(CC(C(Oc1c2)=O)=C(C)c1cc1c2occ1-c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C27H25BrN2O7/c1-13(2)25(26(33)34)30-24(32)11-29-23(31)9-18-14(3)17-8-19-20(15-4-6-16(28)7-5-15)12-36-21(19)10-22(17)37-27(18)35/h4-8,10,12-13,25H,9,11H2,1-3H3,(H,29,31)(H,30,32)(H,33,34)/t25-/m0/s1

InChI Key

PIQLGVQDASYLHW-VWLOTQADSA-N

MDL Number (MFCD)

MFCD06495451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.470

Distribution Coefficient, logD

-0.159

Water Solubility, LogSw

-3.65

Polar Surface Area

107.151

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

Y041-2134 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Lipid Metabolism Library (9174 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-2134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2134?
Check Price and Availability of Y041-2134, 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 Y041-2134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2134
  • 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 Y041-2134 available by request