Y021-2262 Screening compound: N'-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-N,N-dimethyliminoformamide

Y021-2262 Screening compound: N'-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-N,N-dimethyliminoformamide
Y021-2262 Screening compound: N'-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-N,N-dimethyliminoformamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2262
N'-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-N,N-dimethyliminoformamide

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

Y021-2262

Molecular Formula

C13H13N5 (C13 H13 N5)

Compound Name

N'-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-N,N-dimethyliminoformamide

IUPAC name

(E)-N'-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-NN-dimethylmethanimidamide

SMILES

CN(C)/C=N/c(n(-c1ccccc1)nc1)c1C#N

InChI

InChI=1S/C13H13N5/c1-17(2)10-15-13-11(8-14)9-16-18(13)12-6-4-3-5-7-12/h3-7,9-10H,1-2H3

InChI Key

GZSMAOJCHPIUAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00177826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.587

Distribution Coefficient, logD

1.047

Water Solubility, LogSw

-1.80

Polar Surface Area

42.277

Acid Dissociation Constant (pKa)

35.35

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

Y021-2262 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y021-2262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2262?
Check Price and Availability of Y021-2262, 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 Y021-2262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2262
  • 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 Y021-2262 available by request