Y041-3274 Screening compound: N-[2-(4-hydroxyphenyl)ethyl]-2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}acetamide

Y041-3274 Screening compound: N-[2-(4-hydroxyphenyl)ethyl]-2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}acetamide
Y041-3274 Screening compound: N-[2-(4-hydroxyphenyl)ethyl]-2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3274
N-[2-(4-hydroxyphenyl)ethyl]-2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}acetamide

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

Y041-3274

Molecular Formula

C20H17F3N2O3S (C20 H17 F3 N2 O3 S)

Compound Name

N-[2-(4-hydroxyphenyl)ethyl]-2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}acetamide

IUPAC name

N-[2-(4-hydroxyphenyl)ethyl]-2-{2-[4-(trifluoromethoxy)phenyl]-13-thiazol-4-yl}acetamide

SMILES

Oc1ccc(CCNC(Cc2csc(-c(cc3)ccc3OC(F)(F)F)n2)=O)cc1

InChI

InChI=1S/C20H17F3N2O3S/c21-20(22,23)28-17-7-3-14(4-8-17)19-25-15(12-29-19)11-18(27)24-10-9-13-1-5-16(26)6-2-13/h1-8,12,26H,9-11H2,(H,24,27)

InChI Key

ITWAVHODUMZAOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10041908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.232

Distribution Coefficient, logD

4.232

Water Solubility, LogSw

-4.41

Polar Surface Area

58.063

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y041-3274 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-3274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3274?
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What is the minimum amount of Y041-3274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3274
  • 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 Y041-3274 available by request