Y041-3334 Screening compound: N-(CYANOMETHYL)-2-{2-[4-(TRIFLUOROMETHOXY)PHENYL]-1,3-THIAZOL-4-YL}ACETAMIDE

Y041-3334 Screening compound: N-(CYANOMETHYL)-2-{2-[4-(TRIFLUOROMETHOXY)PHENYL]-1,3-THIAZOL-4-YL}ACETAMIDE
Y041-3334 Screening compound: N-(CYANOMETHYL)-2-{2-[4-(TRIFLUOROMETHOXY)PHENYL]-1,3-THIAZOL-4-YL}ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3334
N-(CYANOMETHYL)-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

Y041-3334

Molecular Formula

C14H10F3N3O2S (C14 H10 F3 N3 O2 S)

Compound Name

N-(CYANOMETHYL)-2-{2-[4-(TRIFLUOROMETHOXY)PHENYL]-1,3-THIAZOL-4-YL}ACETAMIDE

IUPAC name

n/a

SMILES

N#CCNC(Cc1csc(-c(cc2)ccc2OC(F)(F)F)n1)=O

InChI

InChI=1S/C14H10F3N3O2S/c15-14(16,17)22-11-3-1-9(2-4-11)13-20-10(8-23-13)7-12(21)19-6-5-18/h1-4,8H,6-7H2,(H,19,21)

InChI Key

SNCLFDPXAVIVPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10041882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.351

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.66

Polar Surface Area

58.209

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

Y041-3334 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y041-3334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3334?
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What is the minimum amount of Y041-3334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3334
  • 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 Y041-3334 available by request