Y200-3398 Screening compound: N-{3-CARBAMOYL-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL}-4-CHLORO-1-METHYL-1H-PYRAZOLE-5-CARBOXAMIDE

Y200-3398 Screening compound: N-{3-CARBAMOYL-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL}-4-CHLORO-1-METHYL-1H-PYRAZOLE-5-CARBOXAMIDE
Y200-3398 Screening compound: N-{3-CARBAMOYL-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL}-4-CHLORO-1-METHYL-1H-PYRAZOLE-5-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-3398
N-{3-CARBAMOYL-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL}-4-CHLORO-1-METHYL-1H-PYRAZOLE-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

Y200-3398

Molecular Formula

C13H13ClN4O2S (C13 H13 ClN4 O2 S)

Compound Name

N-{3-CARBAMOYL-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL}-4-CHLORO-1-METHYL-1H-PYRAZOLE-5-CARBOXAMIDE

IUPAC name

N-{3-carbamoyl-4H5H6H-cyclopenta[b]thiophen-2-yl}-4-chloro-1-methyl-1H-pyrazole-5-carboxamide

SMILES

Cn1ncc(Cl)c1C(Nc1c(C(N)=O)c(CCC2)c2s1)=O

InChI

InChI=1S/C13H13ClN4O2S/c1-18-10(7(14)5-16-18)12(20)17-13-9(11(15)19)6-3-2-4-8(6)21-13/h5H,2-4H2,1H3,(H2,15,19)(H,17,20)

InChI Key

WXVRUORCEWSQKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03758727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.712

Distribution Coefficient, logD

-1.882

Water Solubility, LogSw

-2.84

Polar Surface Area

70.985

Acid Dissociation Constant (pKa)

4.81

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

Y200-3398 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Selective Target Activity Profiling Library (14702 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y200-3398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-3398?
Check Price and Availability of Y200-3398, 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 Y200-3398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-3398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-3398
  • 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 Y200-3398 available by request