P664-0113 Screening compound: 1-(4-{5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine-1-carbonyl)isoquinoline

P664-0113 Screening compound: 1-(4-{5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine-1-carbonyl)isoquinoline
P664-0113 Screening compound: 1-(4-{5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine-1-carbonyl)isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound P664-0113
1-(4-{5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine-1-carbonyl)isoquinoline

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

P664-0113

Molecular Formula

C20H19N7O (C20 H19 N7 O)

Compound Name

1-(4-{5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine-1-carbonyl)isoquinoline

IUPAC name

1-(4-{5-methyl-[124]triazolo[43-a]pyrimidin-7-yl}piperazine-1-carbonyl)isoquinoline

SMILES

Cc1cc(N(CC2)CCN2C(c2nccc3ccccc23)=O)nc2nncn12

InChI

InChI=1S/C20H19N7O/c1-14-12-17(23-20-24-22-13-27(14)20)25-8-10-26(11-9-25)19(28)18-16-5-3-2-4-15(16)6-7-21-18/h2-7,12-13H,8-11H2,1H3

InChI Key

GTRRMSOBXYYUGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27609974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.695

Distribution Coefficient, logD

1.695

Water Solubility, LogSw

-2.29

Polar Surface Area

61.061

Acid Dissociation Constant (pKa)

23.34

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P664-0113 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 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 P664-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P664-0113?
Check Price and Availability of P664-0113, 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 P664-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P664-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P664-0113
  • 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 P664-0113 available by request