P664-0365 Screening compound: 1-(4-{3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one

P664-0365 Screening compound: 1-(4-{3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
P664-0365 Screening compound: 1-(4-{3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazin-1-yl)-2-(2-methoxyphenoxy)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P664-0365
1-(4-{3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazin-1-yl)-2-(2-methoxyphenoxy)propan-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

P664-0365

Molecular Formula

C22H28N6O3 (C22 H28 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(n1c(C)c2)nnc1nc2N(CC1)CCN1C(C(C)Oc(cccc1)c1OC)=O

InChI

InChI=1S/C22H28N6O3/c1-5-19-24-25-22-23-20(14-15(2)28(19)22)26-10-12-27(13-11-26)21(29)16(3)31-18-9-7-6-8-17(18)30-4/h6-9,14,16H,5,10-13H2,1-4H3/t16-/m0/s1

InChI Key

WRYGMUDPWVAKMX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27610046

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

2.419

Distribution Coefficient, logD

2.419

Water Solubility, LogSw

-2.59

Polar Surface Area

66.391

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

P664-0365 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P664-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P664-0365?
Check Price and Availability of P664-0365, 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 P664-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P664-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P664-0365
  • 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 P664-0365 available by request