Y042-5528 Screening compound: N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

Y042-5528 Screening compound: N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
Y042-5528 Screening compound: N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5528
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4-dimethyl-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

Y042-5528

Molecular Formula

C12H13N3OS2 (C12 H13 N3 OS2)

Compound Name

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

IUPAC name

N-{4H5H6H-cyclopenta[d][13]thiazol-2-yl}-24-dimethyl-13-thiazole-5-carboxamide

SMILES

Cc1c(C(Nc2nc(CCC3)c3s2)=O)sc(C)n1

InChI

InChI=1S/C12H13N3OS2/c1-6-10(17-7(2)13-6)11(16)15-12-14-8-4-3-5-9(8)18-12/h3-5H2,1-2H3,(H,14,15,16)

InChI Key

DYZSGXXTLPOSSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22203798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.987

Distribution Coefficient, logD

2.015

Water Solubility, LogSw

-3.23

Polar Surface Area

45.552

Acid Dissociation Constant (pKa)

6.48

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

Y042-5528 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 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 Y042-5528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5528?
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What is the minimum amount of Y042-5528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5528
  • 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 Y042-5528 available by request