Y020-0503 Screening compound: N-[(4-chlorophenyl)methyl]-N-cyano-4,6-dimethylpyrimidin-2-amine

Y020-0503 Screening compound: N-[(4-chlorophenyl)methyl]-N-cyano-4,6-dimethylpyrimidin-2-amine
Y020-0503 Screening compound: N-[(4-chlorophenyl)methyl]-N-cyano-4,6-dimethylpyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0503
N-[(4-chlorophenyl)methyl]-N-cyano-4,6-dimethylpyrimidin-2-amine

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

Y020-0503

Molecular Formula

C14H13ClN4 (C14 H13 ClN4)

Compound Name

N-[(4-chlorophenyl)methyl]-N-cyano-4,6-dimethylpyrimidin-2-amine

IUPAC name

N-[(4-chlorophenyl)methyl]-N-cyano-46-dimethylpyrimidin-2-amine

SMILES

Cc1nc(N(Cc(cc2)ccc2Cl)C#N)nc(C)c1

InChI

InChI=1S/C14H13ClN4/c1-10-7-11(2)18-14(17-10)19(9-16)8-12-3-5-13(15)6-4-12/h3-7H,8H2,1-2H3

InChI Key

KDGPMCQAHWWJHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03615563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.419

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-3.64

Polar Surface Area

35.287

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

Y020-0503 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-0503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0503?
Check Price and Availability of Y020-0503, 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 Y020-0503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0503
  • 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 Y020-0503 available by request