5402-0997 Screening compound: 10-(4-isopropylphenyl)-9H-indeno[1,2-d][1,2,4]triazolo[1,5-a]pyrimidin-9-one

5402-0997 Screening compound: 10-(4-isopropylphenyl)-9H-indeno[1,2-d][1,2,4]triazolo[1,5-a]pyrimidin-9-one
5402-0997 Screening compound: 10-(4-isopropylphenyl)-9H-indeno[1,2-d][1,2,4]triazolo[1,5-a]pyrimidin-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5402-0997
10-(4-isopropylphenyl)-9H-indeno[1,2-d][1,2,4]triazolo[1,5-a]pyrimidin-9-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

5402-0997

Molecular Formula

C21H16N4O (C21 H16 N4 O)

Compound Name

10-(4-isopropylphenyl)-9H-indeno[1,2-d][1,2,4]triazolo[1,5-a]pyrimidin-9-one

IUPAC name

10-[4-(propan-2-yl)phenyl]-11121416-tetraazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-1(16)24691214-heptaen-8-one

SMILES

CC(C)c(cc1)ccc1-c(n1ncnc1nc1-c2c3cccc2)c1C3=O

InChI

InChI=1S/C21H16N4O/c1-12(2)13-7-9-14(10-8-13)19-17-18(24-21-22-11-23-25(19)21)15-5-3-4-6-16(15)20(17)26/h3-12H,1-2H3

InChI Key

PDZLSGLMGQSDCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03301510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.451

Distribution Coefficient, logD

4.451

Water Solubility, LogSw

-4.46

Polar Surface Area

47.995

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

5402-0997 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5402-0997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5402-0997?
Check Price and Availability of 5402-0997, 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 5402-0997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5402-0997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5402-0997
  • 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 5402-0997 available by request