P664-1935 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-4-{3-ethyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine

P664-1935 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-4-{3-ethyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine
P664-1935 Screening compound: 1-(2H-1,3-benzodioxole-5-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 P664-1935
1-(2H-1,3-benzodioxole-5-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

P664-1935

Molecular Formula

C22H26N6O3 (C22 H26 N6 O3)

Compound Name

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

IUPAC name

1-(2H-13-benzodioxole-5-carbonyl)-4-{3-ethyl-5-propyl-[124]triazolo[43-a]pyrimidin-7-yl}piperazine

SMILES

CCCc1cc(N(CC2)CCN2C(c(cc2)cc3c2OCO3)=O)nc2nnc(CC)n12

InChI

InChI=1S/C22H26N6O3/c1-3-5-16-13-20(23-22-25-24-19(4-2)28(16)22)26-8-10-27(11-9-26)21(29)15-6-7-17-18(12-15)31-14-30-17/h6-7,12-13H,3-5,8-11,14H2,1-2H3

InChI Key

UYZORAUPLFOCHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.065

Distribution Coefficient, logD

3.065

Water Solubility, LogSw

-3.17

Polar Surface Area

68.510

Acid Dissociation Constant (pKa)

23.26

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

P664-1935 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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:
  • Cancer
  • 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 P664-1935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P664-1935?
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What is the minimum amount of P664-1935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P664-1935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P664-1935
  • 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 P664-1935 available by request