P659-2619 Screening compound: ethyl 1-{[7-(azepan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}piperidine-3-carboxylate

P659-2619 Screening compound: ethyl 1-{[7-(azepan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}piperidine-3-carboxylate
P659-2619 Screening compound: ethyl 1-{[7-(azepan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P659-2619
ethyl 1-{[7-(azepan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}piperidine-3-carboxylate

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

P659-2619

Molecular Formula

C21H32N6O2 (C21 H32 N6 O2)

Compound Name

ethyl 1-{[7-(azepan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{[7-(azepan-1-yl)-5-methyl-[124]triazolo[15-a]pyrimidin-2-yl]methyl}piperidine-3-carboxylate

SMILES

CCOC(C1CN(Cc2nn3c(N4CCCCCC4)cc(C)nc3n2)CCC1)=O

InChI

InChI=1S/C21H32N6O2/c1-3-29-20(28)17-9-8-10-25(14-17)15-18-23-21-22-16(2)13-19(27(21)24-18)26-11-6-4-5-7-12-26/h13,17H,3-12,14-15H2,1-2H3/t17-/m0/s1

InChI Key

FPTBWQBXZOGNDB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27609905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.854

Distribution Coefficient, logD

2.785

Water Solubility, LogSw

-2.81

Polar Surface Area

59.130

Acid Dissociation Constant (pKa)

22.31

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

P659-2619 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 P659-2619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P659-2619?
Check Price and Availability of P659-2619, 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 P659-2619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P659-2619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P659-2619
  • 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 P659-2619 available by request