Y200-0413 Screening compound: 3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-chromen-2-one

Y200-0413 Screening compound: 3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-chromen-2-one
Y200-0413 Screening compound: 3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-0413
3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-chromen-2-one

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

Y200-0413

Molecular Formula

C18H16N4O3 (C18 H16 N4 O3)

Compound Name

3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-chromen-2-one

IUPAC name

3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-chromen-2-one

SMILES

O=C(C1=Cc(cccc2)c2OC1=O)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C18H16N4O3/c23-16(14-12-13-4-1-2-5-15(13)25-17(14)24)21-8-10-22(11-9-21)18-19-6-3-7-20-18/h1-7,12H,8-11H2

InChI Key

RYEWVKHAGWKDKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03394824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.888

Distribution Coefficient, logD

1.888

Water Solubility, LogSw

-2.22

Polar Surface Area

59.431

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

Y200-0413 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Integrin Receptors Targeted library (1715 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y200-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-0413?
Check Price and Availability of Y200-0413, 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 Y200-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-0413
  • 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 Y200-0413 available by request