Y040-3294 Screening compound: 4-ethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-[(naphthalen-1-yl)methoxy]phenol

Y040-3294 Screening compound: 4-ethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-[(naphthalen-1-yl)methoxy]phenol
Y040-3294 Screening compound: 4-ethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-[(naphthalen-1-yl)methoxy]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3294
4-ethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-[(naphthalen-1-yl)methoxy]phenol

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

Y040-3294

Molecular Formula

C26H23N3O2S (C26 H23 N3 O2 S)

Compound Name

4-ethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazol-3-yl]-5-[(naphthalen-1-yl)methoxy]phenol

IUPAC name

4-ethyl-2-[4-(4-methyl-13-thiazol-2-yl)-1H-pyrazol-3-yl]-5-[(naphthalen-1-yl)methoxy]phenol

SMILES

CCc(c(OCc1cccc2ccccc12)c1)cc(-c2n[nH]cc2-c2nc(C)cs2)c1O

InChI

InChI=1S/C26H23N3O2S/c1-3-17-11-21(25-22(13-27-29-25)26-28-16(2)15-32-26)23(30)12-24(17)31-14-19-9-6-8-18-7-4-5-10-20(18)19/h4-13,15,30H,3,14H2,1-2H3,(H,27,29)

InChI Key

PXDUQNKWVKYHPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01960620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.719

Distribution Coefficient, logD

6.717

Water Solubility, LogSw

-6.48

Polar Surface Area

57.560

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

Y040-3294 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Cardiovascular Library (22201 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-3294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3294?
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What is the minimum amount of Y040-3294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3294
  • 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 Y040-3294 available by request