0122-0035 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-6-methyl-N-phenylpyrimidin-4-amine

0122-0035 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-6-methyl-N-phenylpyrimidin-4-amine
0122-0035 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-6-methyl-N-phenylpyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0122-0035
2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-6-methyl-N-phenylpyrimidin-4-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

0122-0035

Molecular Formula

C18H21N5 (C18 H21 N5)

Compound Name

2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-ethyl-6-methyl-N-phenylpyrimidin-4-amine

IUPAC name

2-(35-dimethyl-1H-pyrazol-1-yl)-5-ethyl-6-methyl-N-phenylpyrimidin-4-amine

SMILES

CCc1c(Nc2ccccc2)nc(-n2nc(C)cc2C)nc1C

InChI

InChI=1S/C18H21N5/c1-5-16-14(4)19-18(23-13(3)11-12(2)22-23)21-17(16)20-15-9-7-6-8-10-15/h6-11H,5H2,1-4H3,(H,19,20,21)

InChI Key

SZRVDFVNDZIBEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00845890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.781

Distribution Coefficient, logD

2.617

Water Solubility, LogSw

-4.00

Polar Surface Area

41.737

Acid Dissociation Constant (pKa)

19.87

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

0122-0035 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0122-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0122-0035?
Check Price and Availability of 0122-0035, 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 0122-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0122-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0122-0035
  • 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 0122-0035 available by request