Y200-5855 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}acetamide

Y200-5855 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}acetamide
Y200-5855 Screening compound: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-5855
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{4-[(3-methoxyphenyl)methyl]piperazin-1-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

Y200-5855

Molecular Formula

C18H25N5O2S (C18 H25 N5 O2 S)

Compound Name

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}acetamide

IUPAC name

N-(5-ethyl-134-thiadiazol-2-yl)-2-{4-[(3-methoxyphenyl)methyl]piperazin-1-yl}acetamide

SMILES

CCc1nnc(NC(CN2CCN(Cc3cc(OC)ccc3)CC2)=O)s1

InChI

InChI=1S/C18H25N5O2S/c1-3-17-20-21-18(26-17)19-16(24)13-23-9-7-22(8-10-23)12-14-5-4-6-15(11-14)25-2/h4-6,11H,3,7-10,12-13H2,1-2H3,(H,19,21,24)

InChI Key

NWHFIWGWSOFDCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06082498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.652

Distribution Coefficient, logD

1.589

Water Solubility, LogSw

-2.86

Polar Surface Area

62.245

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

8.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y200-5855 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y200-5855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-5855?
Check Price and Availability of Y200-5855, 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 Y200-5855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-5855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-5855
  • 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 Y200-5855 available by request