P659-3042 Screening compound: N,N-diethyl-2-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

P659-3042 Screening compound: N,N-diethyl-2-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
P659-3042 Screening compound: N,N-diethyl-2-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P659-3042
N,N-diethyl-2-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-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

P659-3042

Molecular Formula

C21H28FN7 (C21 H28 FN7)

Compound Name

N,N-diethyl-2-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

IUPAC name

NN-diethyl-2-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-5-methyl-[124]triazolo[15-a]pyrimidin-7-amine

SMILES

CCN(CC)c1cc(C)nc2nc(CN(CC3)CCN3c(cccc3)c3F)nn12

InChI

InChI=1S/C21H28FN7/c1-4-27(5-2)20-14-16(3)23-21-24-19(25-29(20)21)15-26-10-12-28(13-11-26)18-9-7-6-8-17(18)22/h6-9,14H,4-5,10-13,15H2,1-3H3

InChI Key

MWJQBKCBMLHMIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27609937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.01

Polar Surface Area

40.355

Acid Dissociation Constant (pKa)

25.07

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

P659-3042 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with P659-3042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P659-3042?
Check Price and Availability of P659-3042, 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 P659-3042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P659-3042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P659-3042
  • 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 P659-3042 available by request