Y041-6655 Screening compound: 4-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]thiomorpholine

Y041-6655 Screening compound: 4-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]thiomorpholine
Y041-6655 Screening compound: 4-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]thiomorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6655
4-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]thiomorpholine

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

Y041-6655

Molecular Formula

C13H15N3OS2 (C13 H15 N3 OS2)

Compound Name

4-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]thiomorpholine

IUPAC name

4-[4-methyl-2-(1H-pyrrol-1-yl)-13-thiazole-5-carbonyl]thiomorpholine

SMILES

Cc1c(C(N2CCSCC2)=O)sc(-n2cccc2)n1

InChI

InChI=1S/C13H15N3OS2/c1-10-11(12(17)15-6-8-18-9-7-15)19-13(14-10)16-4-2-3-5-16/h2-5H,6-9H2,1H3

InChI Key

KSNFGOSXRUQOTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18800007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.525

Distribution Coefficient, logD

2.507

Water Solubility, LogSw

-2.27

Polar Surface Area

31.270

Acid Dissociation Constant (pKa)

28.71

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

Y041-6655 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y041-6655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6655?
Check Price and Availability of Y041-6655, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-6655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6655
  • 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 Y041-6655 available by request