C430-0585 Screening compound: 3-[5-amino-3-(2,4-dimethoxyphenyl)-1H-pyrazol-1-yl]propanenitrile

C430-0585 Screening compound: 3-[5-amino-3-(2,4-dimethoxyphenyl)-1H-pyrazol-1-yl]propanenitrile
C430-0585 Screening compound: 3-[5-amino-3-(2,4-dimethoxyphenyl)-1H-pyrazol-1-yl]propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0585
3-[5-amino-3-(2,4-dimethoxyphenyl)-1H-pyrazol-1-yl]propanenitrile

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

C430-0585

Molecular Formula

C14H16N4O2 (C14 H16 N4 O2)

Compound Name

3-[5-amino-3-(2,4-dimethoxyphenyl)-1H-pyrazol-1-yl]propanenitrile

IUPAC name

3-[5-amino-3-(24-dimethoxyphenyl)-1H-pyrazol-1-yl]propanenitrile

SMILES

COc(cc1)cc(OC)c1-c1nn(CCC#N)c(N)c1

InChI

InChI=1S/C14H16N4O2/c1-19-10-4-5-11(13(8-10)20-2)12-9-14(16)18(17-12)7-3-6-15/h4-5,8-9H,3,7,16H2,1-2H3

InChI Key

LTZSUPOKPSVXHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.266

Distribution Coefficient, logD

1.266

Water Solubility, LogSw

-2.27

Polar Surface Area

66.773

Acid Dissociation Constant (pKa)

21.36

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C430-0585 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C430-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0585?
Check Price and Availability of C430-0585, 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 C430-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0585
  • 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 C430-0585 available by request