P664-1991 Screening compound: 1-(4-chlorobenzoyl)-4-{3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine

P664-1991 Screening compound: 1-(4-chlorobenzoyl)-4-{3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine
P664-1991 Screening compound: 1-(4-chlorobenzoyl)-4-{3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P664-1991
1-(4-chlorobenzoyl)-4-{3-methyl-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

P664-1991

Molecular Formula

C20H23ClN6O (C20 H23 ClN6 O)

Compound Name

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

IUPAC name

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

SMILES

CCCc1cc(N(CC2)CCN2C(c(cc2)ccc2Cl)=O)nc2nnc(C)n12

InChI

InChI=1S/C20H23ClN6O/c1-3-4-17-13-18(22-20-24-23-14(2)27(17)20)25-9-11-26(12-10-25)19(28)15-5-7-16(21)8-6-15/h5-8,13H,3-4,9-12H2,1-2H3

InChI Key

PNPAIMVMMKCWAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27610310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.192

Distribution Coefficient, logD

3.191

Water Solubility, LogSw

-3.52

Polar Surface Area

51.196

Acid Dissociation Constant (pKa)

23.26

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

P664-1991 in Drug Discovery

Included in Screening Libraries

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 P664-1991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P664-1991?
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What is the minimum amount of P664-1991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P664-1991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P664-1991
  • 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 P664-1991 available by request