C201-1256 Screening compound: 2-(4-methylphenyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile

C201-1256 Screening compound: 2-(4-methylphenyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
C201-1256 Screening compound: 2-(4-methylphenyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1256
2-(4-methylphenyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile

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

C201-1256

Molecular Formula

C12H9N3O (C12 H9 N3 O)

Compound Name

2-(4-methylphenyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile

IUPAC name

2-(4-methylphenyl)-6-oxo-16-dihydropyrimidine-5-carbonitrile

SMILES

Cc(cc1)ccc1C(NC1=O)=NC=C1C#N

InChI

InChI=1S/C12H9N3O/c1-8-2-4-9(5-3-8)11-14-7-10(6-13)12(16)15-11/h2-5,7H,1H3,(H,14,15,16)

InChI Key

LRGDKRPYXXSIDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD21874890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

211.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.536

Distribution Coefficient, logD

-2.248

Water Solubility, LogSw

-2.04

Polar Surface Area

51.936

Acid Dissociation Constant (pKa)

6.86

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

C201-1256 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C201-1256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1256?
Check Price and Availability of C201-1256, 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 C201-1256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1256
  • 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 C201-1256 available by request