Y030-9831 Screening compound: ethyl 2-[2-(4-pentanamidobenzamido)-1,3-thiazol-4-yl]acetate

Y030-9831 Screening compound: ethyl 2-[2-(4-pentanamidobenzamido)-1,3-thiazol-4-yl]acetate
Y030-9831 Screening compound: ethyl 2-[2-(4-pentanamidobenzamido)-1,3-thiazol-4-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9831
ethyl 2-[2-(4-pentanamidobenzamido)-1,3-thiazol-4-yl]acetate

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

Y030-9831

Molecular Formula

C19H23N3O4S (C19 H23 N3 O4 S)

Compound Name

ethyl 2-[2-(4-pentanamidobenzamido)-1,3-thiazol-4-yl]acetate

IUPAC name

ethyl 2-[2-(4-pentanamidobenzamido)-13-thiazol-4-yl]acetate

SMILES

CCCCC(Nc(cc1)ccc1C(Nc1nc(CC(OCC)=O)cs1)=O)=O

InChI

InChI=1S/C19H23N3O4S/c1-3-5-6-16(23)20-14-9-7-13(8-10-14)18(25)22-19-21-15(12-27-19)11-17(24)26-4-2/h7-10,12H,3-6,11H2,1-2H3,(H,20,23)(H,21,22,25)

InChI Key

PURKHZRBJXOZND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04278451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.445

Distribution Coefficient, logD

3.343

Water Solubility, LogSw

-3.70

Polar Surface Area

77.179

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

Y030-9831 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y030-9831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9831?
Check Price and Availability of Y030-9831, 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 Y030-9831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9831
  • 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 Y030-9831 available by request