Y041-3335 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}ethan-1-one

Y041-3335 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}ethan-1-one
Y041-3335 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3335
1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}ethan-1-one

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

Y041-3335

Molecular Formula

C19H19F3N2O4S (C19 H19 F3 N2 O4 S)

Compound Name

1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl}ethan-1-one

IUPAC name

1-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-{2-[4-(trifluoromethoxy)phenyl]-13-thiazol-4-yl}ethan-1-one

SMILES

O=C(Cc1csc(-c(cc2)ccc2OC(F)(F)F)n1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C19H19F3N2O4S/c20-19(21,22)28-15-3-1-13(2-4-15)17-23-14(12-29-17)11-16(25)24-7-5-18(6-8-24)26-9-10-27-18/h1-4,12H,5-11H2

InChI Key

NOPABWMYKWZBOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10041883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.786

Distribution Coefficient, logD

3.786

Water Solubility, LogSw

-4.13

Polar Surface Area

46.962

Acid Dissociation Constant (pKa)

21.38

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

Y041-3335 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-3335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3335?
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What is the minimum amount of Y041-3335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3335
  • 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 Y041-3335 available by request