Y030-9128 Screening compound: ethyl 2-[2-(4-butanamidobenzamido)-1,3-thiazol-4-yl]acetate

Y030-9128 Screening compound: ethyl 2-[2-(4-butanamidobenzamido)-1,3-thiazol-4-yl]acetate
Y030-9128 Screening compound: ethyl 2-[2-(4-butanamidobenzamido)-1,3-thiazol-4-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9128
ethyl 2-[2-(4-butanamidobenzamido)-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

Y030-9128

Molecular Formula

C18H21N3O4S (C18 H21 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-3-5-15(22)19-13-8-6-12(7-9-13)17(24)21-18-20-14(11-26-18)10-16(23)25-4-2/h6-9,11H,3-5,10H2,1-2H3,(H,19,22)(H,20,21,24)

InChI Key

ZOYJJYGADJHUAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05660227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.112

Distribution Coefficient, logD

3.009

Water Solubility, LogSw

-3.44

Polar Surface Area

77.179

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y030-9128 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 Y030-9128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9128?
Check Price and Availability of Y030-9128, 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 Y030-9128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9128
  • 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 Y030-9128 available by request