Y041-1877 Screening compound: 2-{2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]acetamido}-3-methylpentanoic acid

Y041-1877 Screening compound: 2-{2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]acetamido}-3-methylpentanoic acid
Y041-1877 Screening compound: 2-{2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]acetamido}-3-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1877
2-{2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]acetamido}-3-methylpentanoic 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

Y041-1877

Molecular Formula

C22H28N2O7 (C22 H28 N2 O7)

Compound Name

2-{2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]acetamido}-3-methylpentanoic acid

IUPAC name

(2R3S)-2-{2-[3-(7-hydroxy-48-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]acetamido}-3-methylpentanoic acid

SMILES

CC[C@@H](C)[C@@H](C(O)=O)NC(CNC(CCC1=C(C)c(ccc(O)c2C)c2OC1=O)=O)=O

InChI

InChI=1S/C22H28N2O7/c1-5-11(2)19(21(28)29)24-18(27)10-23-17(26)9-7-15-12(3)14-6-8-16(25)13(4)20(14)31-22(15)30/h6,8,11,19,25H,5,7,9-10H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t11-,19+/m1/s1

InChI Key

OXOCUKWQNNKTOD-WYRIXSBYSA-N

MDL Number (MFCD)

MFCD10041492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.199

Distribution Coefficient, logD

-2.431

Water Solubility, LogSw

-2.40

Polar Surface Area

114.096

Acid Dissociation Constant (pKa)

3.77

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

Y041-1877 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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 Y041-1877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1877?
Check Price and Availability of Y041-1877, 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 Y041-1877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1877
  • 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 Y041-1877 available by request