Y031-5278 Screening compound: ethyl 4-[4-(1-butyl-5-oxopyrrolidine-3-amido)benzamido]benzoate

Y031-5278 Screening compound: ethyl 4-[4-(1-butyl-5-oxopyrrolidine-3-amido)benzamido]benzoate
Y031-5278 Screening compound: ethyl 4-[4-(1-butyl-5-oxopyrrolidine-3-amido)benzamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5278
ethyl 4-[4-(1-butyl-5-oxopyrrolidine-3-amido)benzamido]benzoate

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

Y031-5278

Molecular Formula

C25H29N3O5 (C25 H29 N3 O5)

Compound Name

ethyl 4-[4-(1-butyl-5-oxopyrrolidine-3-amido)benzamido]benzoate

IUPAC name

ethyl 4-[4-(1-butyl-5-oxopyrrolidine-3-amido)benzamido]benzoate

SMILES

CCCCN(CC(C1)C(Nc(cc2)ccc2C(Nc(cc2)ccc2C(OCC)=O)=O)=O)C1=O

InChI

InChI=1S/C25H29N3O5/c1-3-5-14-28-16-19(15-22(28)29)24(31)27-20-10-6-17(7-11-20)23(30)26-21-12-8-18(9-13-21)25(32)33-4-2/h6-13,19H,3-5,14-16H2,1-2H3,(H,26,30)(H,27,31)/t19-/m1/s1

InChI Key

JKLUAQSELJBIQJ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD08598261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.234

Distribution Coefficient, logD

3.229

Water Solubility, LogSw

-3.22

Polar Surface Area

84.620

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

Y031-5278 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y031-5278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5278?
Check Price and Availability of Y031-5278, 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 Y031-5278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5278
  • 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 Y031-5278 available by request