Y042-5547 Screening compound: 4-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide

Y042-5547 Screening compound: 4-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide
Y042-5547 Screening compound: 4-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5547
4-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide

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

Y042-5547

Molecular Formula

C15H19N3OS2 (C15 H19 N3 OS2)

Compound Name

4-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide

IUPAC name

4-butyl-N-{4H5H6H-cyclopenta[d][13]thiazol-2-yl}-2-methyl-13-thiazole-5-carboxamide

SMILES

CCCCc1c(C(Nc2nc(CCC3)c3s2)=O)sc(C)n1

InChI

InChI=1S/C15H19N3OS2/c1-3-4-6-11-13(20-9(2)16-11)14(19)18-15-17-10-7-5-8-12(10)21-15/h3-8H2,1-2H3,(H,17,18,19)

InChI Key

DBLYTXRSXMMMTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22204017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

3.615

Water Solubility, LogSw

-4.30

Polar Surface Area

46.241

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

Y042-5547 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y042-5547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5547?
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What is the minimum amount of Y042-5547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5547
  • 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 Y042-5547 available by request