Y042-3481 Screening compound: ethyl 2-[2-({[2-(4-pyridyl)-4-quinolyl]carbonyl}amino)-1,3-thiazol-4-yl]acetate

Y042-3481 Screening compound: ethyl 2-[2-({[2-(4-pyridyl)-4-quinolyl]carbonyl}amino)-1,3-thiazol-4-yl]acetate
Y042-3481 Screening compound: ethyl 2-[2-({[2-(4-pyridyl)-4-quinolyl]carbonyl}amino)-1,3-thiazol-4-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-3481
ethyl 2-[2-({[2-(4-pyridyl)-4-quinolyl]carbonyl}amino)-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

Y042-3481

Molecular Formula

C22H18N4O3S (C22 H18 N4 O3 S)

Compound Name

ethyl 2-[2-({[2-(4-pyridyl)-4-quinolyl]carbonyl}amino)-1,3-thiazol-4-yl]acetate

IUPAC name

ethyl 2-{2-[2-(pyridin-4-yl)quinoline-4-amido]-13-thiazol-4-yl}acetate

SMILES

CCOC(Cc1csc(NC(c2cc(-c3ccncc3)nc3ccccc23)=O)n1)=O

InChI

InChI=1S/C22H18N4O3S/c1-2-29-20(27)11-15-13-30-22(24-15)26-21(28)17-12-19(14-7-9-23-10-8-14)25-18-6-4-3-5-16(17)18/h3-10,12-13H,2,11H2,1H3,(H,24,26,28)

InChI Key

WPKCGPRECZUCFB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.211

Distribution Coefficient, logD

4.209

Water Solubility, LogSw

-4.21

Polar Surface Area

71.517

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.64

Y042-3481 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-3481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-3481?
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What is the minimum amount of Y042-3481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-3481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-3481
  • 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 Y042-3481 available by request