4358-3322 Screening compound: ethyl 4-methyl-2-[4-(3-methylphenoxy)butanamido]-1,3-thiazole-5-carboxylate

4358-3322 Screening compound: ethyl 4-methyl-2-[4-(3-methylphenoxy)butanamido]-1,3-thiazole-5-carboxylate
4358-3322 Screening compound: ethyl 4-methyl-2-[4-(3-methylphenoxy)butanamido]-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-3322
ethyl 4-methyl-2-[4-(3-methylphenoxy)butanamido]-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

4358-3322

Molecular Formula

C18H22N2O4S (C18 H22 N2 O4 S)

Compound Name

ethyl 4-methyl-2-[4-(3-methylphenoxy)butanamido]-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 4-methyl-2-[4-(3-methylphenoxy)butanamido]-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(CCCOc2cc(C)ccc2)=O)s1)=O

InChI

InChI=1S/C18H22N2O4S/c1-4-23-17(22)16-13(3)19-18(25-16)20-15(21)9-6-10-24-14-8-5-7-12(2)11-14/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,19,20,21)

InChI Key

VRFWAEHLYSMQIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02367913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.903

Distribution Coefficient, logD

3.826

Water Solubility, LogSw

-3.88

Polar Surface Area

61.911

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

4358-3322 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with 4358-3322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-3322?
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What is the minimum amount of 4358-3322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-3322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-3322
  • 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 4358-3322 available by request