Y031-1449 Screening compound: ethyl 2-[4-(acetyloxy)benzamido]-4-methyl-1,3-thiazole-5-carboxylate

Y031-1449 Screening compound: ethyl 2-[4-(acetyloxy)benzamido]-4-methyl-1,3-thiazole-5-carboxylate
Y031-1449 Screening compound: ethyl 2-[4-(acetyloxy)benzamido]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1449
ethyl 2-[4-(acetyloxy)benzamido]-4-methyl-1,3-thiazole-5-carboxylate

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

Y031-1449

Molecular Formula

C16H16N2O5S (C16 H16 N2 O5 S)

Compound Name

ethyl 2-[4-(acetyloxy)benzamido]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-[4-(acetyloxy)benzamido]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(c(cc2)ccc2OC(C)=O)=O)s1)=O

InChI

InChI=1S/C16H16N2O5S/c1-4-22-15(21)13-9(2)17-16(24-13)18-14(20)11-5-7-12(8-6-11)23-10(3)19/h5-8H,4H2,1-3H3,(H,17,18,20)

InChI Key

JKMRBUYXTDCEQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06752078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.719

Distribution Coefficient, logD

2.247

Water Solubility, LogSw

-3.16

Polar Surface Area

75.458

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y031-1449 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-1449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1449?
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What is the minimum amount of Y031-1449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1449
  • 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 Y031-1449 available by request