P664-1697 Screening compound: N,N-dimethyl-3-(4-{3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine-1-carbonyl)aniline

P664-1697 Screening compound: N,N-dimethyl-3-(4-{3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine-1-carbonyl)aniline
P664-1697 Screening compound: N,N-dimethyl-3-(4-{3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine-1-carbonyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound P664-1697
N,N-dimethyl-3-(4-{3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine-1-carbonyl)aniline

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

P664-1697

Molecular Formula

C22H29N7O (C22 H29 N7 O)

Compound Name

N,N-dimethyl-3-(4-{3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine-1-carbonyl)aniline

IUPAC name

NN-dimethyl-3-(4-{3-methyl-5-propyl-[124]triazolo[43-a]pyrimidin-7-yl}piperazine-1-carbonyl)aniline

SMILES

CCCc1cc(N(CC2)CCN2C(c2cc(N(C)C)ccc2)=O)nc2nnc(C)n12

InChI

InChI=1S/C22H29N7O/c1-5-7-19-15-20(23-22-25-24-16(2)29(19)22)27-10-12-28(13-11-27)21(30)17-8-6-9-18(14-17)26(3)4/h6,8-9,14-15H,5,7,10-13H2,1-4H3

InChI Key

JXRBPKCXOFWVEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.05

Polar Surface Area

54.001

Acid Dissociation Constant (pKa)

23.26

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

P664-1697 in Drug Discovery

Included in Screening Libraries

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 P664-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P664-1697?
Check Price and Availability of P664-1697, 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 P664-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P664-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P664-1697
  • 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 P664-1697 available by request