P664-0486 Screening compound: 2-(3,5-dimethoxyphenyl)-1-(4-{3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazin-1-yl)ethan-1-one

P664-0486 Screening compound: 2-(3,5-dimethoxyphenyl)-1-(4-{3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazin-1-yl)ethan-1-one
P664-0486 Screening compound: 2-(3,5-dimethoxyphenyl)-1-(4-{3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P664-0486
2-(3,5-dimethoxyphenyl)-1-(4-{3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazin-1-yl)ethan-1-one

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

P664-0486

Molecular Formula

C22H28N6O3 (C22 H28 N6 O3)

Compound Name

2-(3,5-dimethoxyphenyl)-1-(4-{3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazin-1-yl)ethan-1-one

IUPAC name

2-(35-dimethoxyphenyl)-1-(4-{3-ethyl-5-methyl-[124]triazolo[43-a]pyrimidin-7-yl}piperazin-1-yl)ethan-1-one

SMILES

CCc(n1c(C)c2)nnc1nc2N(CC1)CCN1C(Cc1cc(OC)cc(OC)c1)=O

InChI

InChI=1S/C22H28N6O3/c1-5-19-24-25-22-23-20(10-15(2)28(19)22)26-6-8-27(9-7-26)21(29)13-16-11-17(30-3)14-18(12-16)31-4/h10-12,14H,5-9,13H2,1-4H3

InChI Key

KKAVZNGEBDFNRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.479

Distribution Coefficient, logD

2.479

Water Solubility, LogSw

-2.35

Polar Surface Area

66.445

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

P664-0486 in Drug Discovery

Included in Screening Libraries

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

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 P664-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P664-0486?
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What is the minimum amount of P664-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P664-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P664-0486
  • 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 P664-0486 available by request