P592-0453 Screening compound: N-[(3-bromophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-2-amine

P592-0453 Screening compound: N-[(3-bromophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-2-amine
P592-0453 Screening compound: N-[(3-bromophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P592-0453
N-[(3-bromophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-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

P592-0453

Molecular Formula

C16H16BrN5 (C16 H16 BrN5)

Compound Name

N-[(3-bromophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-2-amine

IUPAC name

N-[(3-bromophenyl)methyl]-4-(35-dimethyl-1H-pyrazol-1-yl)pyrimidin-2-amine

SMILES

Cc1cc(C)nn1-c1ccnc(NCc2cccc(Br)c2)n1

InChI

InChI=1S/C16H16BrN5/c1-11-8-12(2)22(21-11)15-6-7-18-16(20-15)19-10-13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3,(H,18,19,20)

InChI Key

SDMPCVJLRSLZIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.24

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

3.351

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.36

Polar Surface Area

43.946

Acid Dissociation Constant (pKa)

17.39

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

P592-0453 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P592-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P592-0453?
Check Price and Availability of P592-0453, 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 P592-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P592-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P592-0453
  • 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 P592-0453 available by request