Y050-3387 Screening compound: 1-benzyl-4-[4-methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carbonyl]piperazine

Y050-3387 Screening compound: 1-benzyl-4-[4-methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carbonyl]piperazine
Y050-3387 Screening compound: 1-benzyl-4-[4-methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-3387
1-benzyl-4-[4-methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carbonyl]piperazine

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

Y050-3387

Molecular Formula

C21H22N4OS (C21 H22 N4 OS)

Compound Name

1-benzyl-4-[4-methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carbonyl]piperazine

IUPAC name

1-benzyl-4-[4-methyl-2-(pyridin-3-yl)-13-thiazole-5-carbonyl]piperazine

SMILES

Cc1c(C(N2CCN(Cc3ccccc3)CC2)=O)sc(-c2cnccc2)n1

InChI

InChI=1S/C21H22N4OS/c1-16-19(27-20(23-16)18-8-5-9-22-14-18)21(26)25-12-10-24(11-13-25)15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3

InChI Key

HHQLTVSTRMCQIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11842311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.757

Distribution Coefficient, logD

2.691

Water Solubility, LogSw

-2.61

Polar Surface Area

40.256

Acid Dissociation Constant (pKa)

28.42

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

Y050-3387 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y050-3387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-3387?
Check Price and Availability of Y050-3387, 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 Y050-3387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-3387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-3387
  • 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 Y050-3387 available by request