P664-1781 Screening compound: 1-(4-{3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazin-1-yl)-2-phenoxypropan-1-one

P664-1781 Screening compound: 1-(4-{3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazin-1-yl)-2-phenoxypropan-1-one
P664-1781 Screening compound: 1-(4-{3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazin-1-yl)-2-phenoxypropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P664-1781
1-(4-{3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazin-1-yl)-2-phenoxypropan-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

P664-1781

Molecular Formula

C22H28N6O2 (C22 H28 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCc1cc(N(CC2)CCN2C(C(C)Oc2ccccc2)=O)nc2nnc(C)n12

InChI

InChI=1S/C22H28N6O2/c1-4-8-18-15-20(23-22-25-24-17(3)28(18)22)26-11-13-27(14-12-26)21(29)16(2)30-19-9-6-5-7-10-19/h5-7,9-10,15-16H,4,8,11-14H2,1-3H3/t16-/m0/s1

InChI Key

TXTJISMOXONGOD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27610249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.995

Distribution Coefficient, logD

2.995

Water Solubility, LogSw

-3.18

Polar Surface Area

57.985

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

P664-1781 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 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 P664-1781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P664-1781?
Check Price and Availability of P664-1781, 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 P664-1781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P664-1781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P664-1781
  • 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 P664-1781 available by request