P664-2094 Screening compound: 1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-{3-ethyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine

P664-2094 Screening compound: 1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-{3-ethyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine
P664-2094 Screening compound: 1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-{3-ethyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P664-2094
1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-{3-ethyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine

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

P664-2094

Molecular Formula

C20H28N8O (C20 H28 N8 O)

Compound Name

1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-{3-ethyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine

IUPAC name

1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-{3-ethyl-5-propyl-[124]triazolo[43-a]pyrimidin-7-yl}piperazine

SMILES

CCCc1cc(N(CC2)CCN2C(c2nn(CC)cc2)=O)nc2nnc(CC)n12

InChI

InChI=1S/C20H28N8O/c1-4-7-15-14-18(21-20-23-22-17(5-2)28(15)20)25-10-12-26(13-11-25)19(29)16-8-9-27(6-3)24-16/h8-9,14H,4-7,10-13H2,1-3H3

InChI Key

VRLQJPQMQYSBDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.162

Distribution Coefficient, logD

2.162

Water Solubility, LogSw

-2.48

Polar Surface Area

65.780

Acid Dissociation Constant (pKa)

23.34

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

P664-2094 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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 P664-2094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P664-2094?
Check Price and Availability of P664-2094, 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 P664-2094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P664-2094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P664-2094
  • 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 P664-2094 available by request